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/IONIS-cfb37b69/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-cfb37b69/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-cfb37b69/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-cfb37b69/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-cfb37b69/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-cfb37b69/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-cfb37b69/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-cfb37b69/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-cfb37b69/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-cfb37b69/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-cfb37b69/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-cfb37b69/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-cfb37b69/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-cfb37b69/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-cfb37b69/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-cfb37b69/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-cfb37b69/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-cfb37b69/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-cfb37b69/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-cfb37b69/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 1
Temperature: 1.200000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -154.885959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.885959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.885959 (E_RNA)
where:
Base-Base interactions energy: -90.549
where: short stacking energy: -54.175
Base-Backbone interact. energy: -0.879
local terms energy: -63.457389
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -120.781561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.781561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.781561 (E_RNA)
where:
Base-Base interactions energy: -52.717
where: short stacking energy: -52.717
Base-Backbone interact. energy: 0.049
local terms energy: -68.113293
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -121.557661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.557661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.557661 (E_RNA)
where:
Base-Base interactions energy: -68.814
where: short stacking energy: -50.958
Base-Backbone interact. energy: -0.029
local terms energy: -52.714939
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -104.436382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.436382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.436382 (E_RNA)
where:
Base-Base interactions energy: -51.208
where: short stacking energy: -31.553
Base-Backbone interact. energy: -0.099
local terms energy: -53.129884
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -8.919
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -108.185538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.185538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.185538 (E_RNA)
where:
Base-Base interactions energy: -53.017
where: short stacking energy: -43.008
Base-Backbone interact. energy: -0.224
local terms energy: -54.944637
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -8.478
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -102.490956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.490956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.490956 (E_RNA)
where:
Base-Base interactions energy: -53.559
where: short stacking energy: -41.303
Base-Backbone interact. energy: 0.043
local terms energy: -48.975420
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -100.264919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.264919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.264919 (E_RNA)
where:
Base-Base interactions energy: -50.207
where: short stacking energy: -27.753
Base-Backbone interact. energy: -0.192
local terms energy: -49.866576
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -89.857443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.857443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.857443 (E_RNA)
where:
Base-Base interactions energy: -43.525
where: short stacking energy: -31.703
Base-Backbone interact. energy: -0.139
local terms energy: -46.193693
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: 1.597
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -77.670898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.670898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.670898 (E_RNA)
where:
Base-Base interactions energy: -32.349
where: short stacking energy: -32.349
Base-Backbone interact. energy: -0.098
local terms energy: -45.223315
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -4.922
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -85.826185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.826185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.826185 (E_RNA)
where:
Base-Base interactions energy: -38.598
where: short stacking energy: -35.346
Base-Backbone interact. energy: -0.256
local terms energy: -46.972168
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -178.573468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.573468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.573468 (E_RNA)
where:
Base-Base interactions energy: -107.951
where: short stacking energy: -60.192
Base-Backbone interact. energy: -0.082
local terms energy: -70.540406
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -16.433
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -164.118764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.118764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.118764 (E_RNA)
where:
Base-Base interactions energy: -92.770
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.232
local terms energy: -71.117556
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -146.378807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.378807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.378807 (E_RNA)
where:
Base-Base interactions energy: -86.912
where: short stacking energy: -46.478
Base-Backbone interact. energy: 0.534
local terms energy: -60.000060
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -7.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -103.329477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.329477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.329477 (E_RNA)
where:
Base-Base interactions energy: -45.360
where: short stacking energy: -35.130
Base-Backbone interact. energy: -0.105
local terms energy: -57.864380
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -8.471
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -105.566646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.566646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.566646 (E_RNA)
where:
Base-Base interactions energy: -52.367
where: short stacking energy: -24.926
Base-Backbone interact. energy: -0.021
local terms energy: -53.178271
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -93.253584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.253584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.253584 (E_RNA)
where:
Base-Base interactions energy: -34.482
where: short stacking energy: -34.482
Base-Backbone interact. energy: -0.002
local terms energy: -58.769960
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -6.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -101.608409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.608409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.608409 (E_RNA)
where:
Base-Base interactions energy: -43.863
where: short stacking energy: -43.863
Base-Backbone interact. energy: 3.099
local terms energy: -60.844902
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -88.334349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.334349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.334349 (E_RNA)
where:
Base-Base interactions energy: -41.919
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.230
local terms energy: -46.184578
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -7.538
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: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -72.030270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.030270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.030270 (E_RNA)
where:
Base-Base interactions energy: -21.483
where: short stacking energy: -19.441
Base-Backbone interact. energy: -0.155
local terms energy: -50.392139
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -74.739154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.739154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.739154 (E_RNA)
where:
Base-Base interactions energy: -24.043
where: short stacking energy: -23.480
Base-Backbone interact. energy: 0.374
local terms energy: -51.070611
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -186.415653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.415653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.415653 (E_RNA)
where:
Base-Base interactions energy: -111.488
where: short stacking energy: -52.400
Base-Backbone interact. energy: -0.018
local terms energy: -74.910149
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -158.764107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.764107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.764107 (E_RNA)
where:
Base-Base interactions energy: -90.611
where: short stacking energy: -54.780
Base-Backbone interact. energy: -0.677
local terms energy: -67.476128
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -12.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -140.759031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.759031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.759031 (E_RNA)
where:
Base-Base interactions energy: -87.804
where: short stacking energy: -45.766
Base-Backbone interact. energy: -0.169
local terms energy: -52.785620
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -7.703
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: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -117.183885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.183885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.183885 (E_RNA)
where:
Base-Base interactions energy: -67.142
where: short stacking energy: -43.317
Base-Backbone interact. energy: -0.010
local terms energy: -50.031133
where:
bonds (distance) C4'-P energy: -7.733
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -100.054109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.054109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.054109 (E_RNA)
where:
Base-Base interactions energy: -39.156
where: short stacking energy: -35.928
Base-Backbone interact. energy: -0.311
local terms energy: -60.586574
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -5.963
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: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -110.220050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.220050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.220050 (E_RNA)
where:
Base-Base interactions energy: -58.313
where: short stacking energy: -32.008
Base-Backbone interact. energy: 0.070
local terms energy: -51.977429
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -2.967
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: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -97.223868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.223868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.223868 (E_RNA)
where:
Base-Base interactions energy: -42.126
where: short stacking energy: -29.974
Base-Backbone interact. energy: -0.039
local terms energy: -55.058796
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -4.161
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: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -88.604656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.604656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.604656 (E_RNA)
where:
Base-Base interactions energy: -41.897
where: short stacking energy: -38.323
Base-Backbone interact. energy: -0.225
local terms energy: -46.482671
where:
bonds (distance) C4'-P energy: -5.030
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -82.468385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.468385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.468385 (E_RNA)
where:
Base-Base interactions energy: -37.140
where: short stacking energy: -33.151
Base-Backbone interact. energy: 0.701
local terms energy: -46.029131
where:
bonds (distance) C4'-P energy: -8.391
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -69.066058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.066058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.066058 (E_RNA)
where:
Base-Base interactions energy: -30.623
where: short stacking energy: -15.822
Base-Backbone interact. energy: 0.178
local terms energy: -38.621487
where:
bonds (distance) C4'-P energy: -7.691
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -5.481
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: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -193.912966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.912966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.912966 (E_RNA)
where:
Base-Base interactions energy: -130.704
where: short stacking energy: -53.059
Base-Backbone interact. energy: -0.056
local terms energy: -63.153471
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -139.243855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.243855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.243855 (E_RNA)
where:
Base-Base interactions energy: -71.605
where: short stacking energy: -55.419
Base-Backbone interact. energy: -0.003
local terms energy: -67.635370
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -156.250818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.250818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.250818 (E_RNA)
where:
Base-Base interactions energy: -90.582
where: short stacking energy: -54.987
Base-Backbone interact. energy: -0.061
local terms energy: -65.607087
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -13.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -102.060530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.060530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.060530 (E_RNA)
where:
Base-Base interactions energy: -55.133
where: short stacking energy: -31.136
Base-Backbone interact. energy: -0.527
local terms energy: -46.400831
where:
bonds (distance) C4'-P energy: -7.587
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -95.689521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.689521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.689521 (E_RNA)
where:
Base-Base interactions energy: -37.439
where: short stacking energy: -26.989
Base-Backbone interact. energy: -0.169
local terms energy: -58.081665
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -94.945151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.945151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.945151 (E_RNA)
where:
Base-Base interactions energy: -41.214
where: short stacking energy: -39.711
Base-Backbone interact. energy: -0.057
local terms energy: -53.673707
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -107.777091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.777091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.777091 (E_RNA)
where:
Base-Base interactions energy: -54.447
where: short stacking energy: -38.395
Base-Backbone interact. energy: -0.004
local terms energy: -53.326009
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -6.797
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: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -87.734469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.734469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.734469 (E_RNA)
where:
Base-Base interactions energy: -39.162
where: short stacking energy: -32.153
Base-Backbone interact. energy: -0.204
local terms energy: -48.367934
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -82.047644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.047644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.047644 (E_RNA)
where:
Base-Base interactions energy: -30.375
where: short stacking energy: -16.569
Base-Backbone interact. energy: -0.292
local terms energy: -51.379823
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -11.218
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: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -73.677501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.677501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.677501 (E_RNA)
where:
Base-Base interactions energy: -24.718
where: short stacking energy: -24.718
Base-Backbone interact. energy: -0.148
local terms energy: -48.811712
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -6.833
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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -198.015055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.015055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.015055 (E_RNA)
where:
Base-Base interactions energy: -139.462
where: short stacking energy: -50.432
Base-Backbone interact. energy: -0.091
local terms energy: -58.462401
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -11.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -136.310030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.310030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.310030 (E_RNA)
where:
Base-Base interactions energy: -71.536
where: short stacking energy: -39.902
Base-Backbone interact. energy: -0.641
local terms energy: -64.133313
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -3.253
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -158.856675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.856675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.856675 (E_RNA)
where:
Base-Base interactions energy: -94.454
where: short stacking energy: -52.561
Base-Backbone interact. energy: -1.465
local terms energy: -62.937395
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -111.324463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.324463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.324463 (E_RNA)
where:
Base-Base interactions energy: -60.865
where: short stacking energy: -27.511
Base-Backbone interact. energy: -0.750
local terms energy: -49.708845
where:
bonds (distance) C4'-P energy: -7.807
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -8.762
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: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -125.706814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.706814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.706814 (E_RNA)
where:
Base-Base interactions energy: -73.810
where: short stacking energy: -32.747
Base-Backbone interact. energy: -0.122
local terms energy: -51.774700
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -85.132892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.132892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.132892 (E_RNA)
where:
Base-Base interactions energy: -27.841
where: short stacking energy: -27.841
Base-Backbone interact. energy: -0.075
local terms energy: -57.217449
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -91.413284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.413284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.413284 (E_RNA)
where:
Base-Base interactions energy: -38.139
where: short stacking energy: -34.217
Base-Backbone interact. energy: -1.165
local terms energy: -52.109320
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -92.241503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.241503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.241503 (E_RNA)
where:
Base-Base interactions energy: -53.611
where: short stacking energy: -34.254
Base-Backbone interact. energy: -0.790
local terms energy: -37.841394
where:
bonds (distance) C4'-P energy: -8.080
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -79.094252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.094252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.094252 (E_RNA)
where:
Base-Base interactions energy: -30.442
where: short stacking energy: -30.442
Base-Backbone interact. energy: 1.940
local terms energy: -50.591562
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -9.276
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: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -70.551538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.551538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.551538 (E_RNA)
where:
Base-Base interactions energy: -35.414
where: short stacking energy: -10.390
Base-Backbone interact. energy: -0.169
local terms energy: -34.968540
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: 6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -208.134509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.134509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.134509 (E_RNA)
where:
Base-Base interactions energy: -139.334
where: short stacking energy: -65.926
Base-Backbone interact. energy: -0.007
local terms energy: -68.793445
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -21.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -162.271766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.271766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.271766 (E_RNA)
where:
Base-Base interactions energy: -96.710
where: short stacking energy: -60.520
Base-Backbone interact. energy: -0.003
local terms energy: -65.558809
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -17.687
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: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -122.978432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.978432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.978432 (E_RNA)
where:
Base-Base interactions energy: -61.975
where: short stacking energy: -50.948
Base-Backbone interact. energy: -0.031
local terms energy: -60.972190
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -13.467
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: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -128.531574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.531574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.531574 (E_RNA)
where:
Base-Base interactions energy: -73.943
where: short stacking energy: -33.662
Base-Backbone interact. energy: -0.978
local terms energy: -53.610280
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -6.718
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: 5, replica: 8
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -102.882913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.882913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.882913 (E_RNA)
where:
Base-Base interactions energy: -40.108
where: short stacking energy: -40.108
Base-Backbone interact. energy: -0.001
local terms energy: -62.773635
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -114.330518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.330518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.330518 (E_RNA)
where:
Base-Base interactions energy: -60.148
where: short stacking energy: -29.311
Base-Backbone interact. energy: -0.118
local terms energy: -54.064630
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -89.796854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.796854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.796854 (E_RNA)
where:
Base-Base interactions energy: -35.743
where: short stacking energy: -32.236
Base-Backbone interact. energy: 0.010
local terms energy: -54.063967
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -10.364
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: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -76.484082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.484082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.484082 (E_RNA)
where:
Base-Base interactions energy: -37.621
where: short stacking energy: -26.908
Base-Backbone interact. energy: -0.142
local terms energy: -38.721701
where:
bonds (distance) C4'-P energy: -7.357
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: 1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -66.653432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.653432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.653432 (E_RNA)
where:
Base-Base interactions energy: -27.285
where: short stacking energy: -22.586
Base-Backbone interact. energy: -0.273
local terms energy: -39.094906
where:
bonds (distance) C4'-P energy: -4.528
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -5.952
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -74.111429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.111429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.111429 (E_RNA)
where:
Base-Base interactions energy: -27.302
where: short stacking energy: -23.269
Base-Backbone interact. energy: -0.035
local terms energy: -46.774624
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -7.206
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -202.601589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.601589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.601589 (E_RNA)
where:
Base-Base interactions energy: -135.351
where: short stacking energy: -66.256
Base-Backbone interact. energy: -0.003
local terms energy: -67.247944
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -157.901297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.901297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.901297 (E_RNA)
where:
Base-Base interactions energy: -88.223
where: short stacking energy: -50.895
Base-Backbone interact. energy: -0.022
local terms energy: -69.656079
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -128.990879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.990879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.990879 (E_RNA)
where:
Base-Base interactions energy: -66.744
where: short stacking energy: -46.194
Base-Backbone interact. energy: -0.120
local terms energy: -62.127660
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -11.057
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: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -131.480661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.480661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.480661 (E_RNA)
where:
Base-Base interactions energy: -80.463
where: short stacking energy: -41.929
Base-Backbone interact. energy: -0.213
local terms energy: -50.804593
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -6.165
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: 5, replica: 8
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -96.525162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.525162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.525162 (E_RNA)
where:
Base-Base interactions energy: -36.152
where: short stacking energy: -36.152
Base-Backbone interact. energy: 0.433
local terms energy: -60.806303
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -10.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -113.977223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.977223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.977223 (E_RNA)
where:
Base-Base interactions energy: -55.566
where: short stacking energy: -39.660
Base-Backbone interact. energy: -0.057
local terms energy: -58.353556
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -100.100208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.100208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.100208 (E_RNA)
where:
Base-Base interactions energy: -51.552
where: short stacking energy: -36.333
Base-Backbone interact. energy: -0.011
local terms energy: -48.537451
where:
bonds (distance) C4'-P energy: -6.957
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -86.242851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.242851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.242851 (E_RNA)
where:
Base-Base interactions energy: -48.126
where: short stacking energy: -25.664
Base-Backbone interact. energy: -0.077
local terms energy: -38.039698
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -2.597
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: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -82.890585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.890585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.890585 (E_RNA)
where:
Base-Base interactions energy: -35.326
where: short stacking energy: -35.326
Base-Backbone interact. energy: -0.014
local terms energy: -47.549988
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -1.769
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: 5
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -78.392069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.392069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.392069 (E_RNA)
where:
Base-Base interactions energy: -40.136
where: short stacking energy: -16.499
Base-Backbone interact. energy: -0.955
local terms energy: -37.301566
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -7.240
flat angles P-C4'-P energy: -6.472
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: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -199.891569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.891569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.891569 (E_RNA)
where:
Base-Base interactions energy: -123.882
where: short stacking energy: -49.927
Base-Backbone interact. energy: -0.002
local terms energy: -76.007939
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -177.510396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.510396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.510396 (E_RNA)
where:
Base-Base interactions energy: -106.282
where: short stacking energy: -57.189
Base-Backbone interact. energy: -0.415
local terms energy: -70.813733
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -113.139323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.139323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.139323 (E_RNA)
where:
Base-Base interactions energy: -52.574
where: short stacking energy: -46.306
Base-Backbone interact. energy: -0.462
local terms energy: -60.103232
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -9.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -139.373389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.373389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.373389 (E_RNA)
where:
Base-Base interactions energy: -83.928
where: short stacking energy: -29.783
Base-Backbone interact. energy: -0.054
local terms energy: -55.391270
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -109.229066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.229066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.229066 (E_RNA)
where:
Base-Base interactions energy: -49.373
where: short stacking energy: -44.515
Base-Backbone interact. energy: -0.002
local terms energy: -59.853799
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -120.577839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.577839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.577839 (E_RNA)
where:
Base-Base interactions energy: -69.628
where: short stacking energy: -31.844
Base-Backbone interact. energy: -0.255
local terms energy: -50.695666
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -6.006
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: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -86.567494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.567494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.567494 (E_RNA)
where:
Base-Base interactions energy: -25.962
where: short stacking energy: -19.815
Base-Backbone interact. energy: -0.098
local terms energy: -60.507220
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -80.838751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.838751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.838751 (E_RNA)
where:
Base-Base interactions energy: -32.947
where: short stacking energy: -31.952
Base-Backbone interact. energy: -0.085
local terms energy: -47.806927
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -79.524105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.524105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.524105 (E_RNA)
where:
Base-Base interactions energy: -31.909
where: short stacking energy: -31.909
Base-Backbone interact. energy: -0.162
local terms energy: -47.452950
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -6.966
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: 10, replica: 5
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -84.828540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.828540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.828540 (E_RNA)
where:
Base-Base interactions energy: -34.237
where: short stacking energy: -25.919
Base-Backbone interact. energy: -0.080
local terms energy: -50.511078
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -9.857
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: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -208.003519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.003519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.003519 (E_RNA)
where:
Base-Base interactions energy: -140.349
where: short stacking energy: -60.572
Base-Backbone interact. energy: -0.575
local terms energy: -67.079893
where:
bonds (distance) C4'-P energy: -7.754
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -169.834292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.834292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.834292 (E_RNA)
where:
Base-Base interactions energy: -96.365
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.014
local terms energy: -73.454937
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -135.251141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.251141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.251141 (E_RNA)
where:
Base-Base interactions energy: -79.699
where: short stacking energy: -38.541
Base-Backbone interact. energy: -0.545
local terms energy: -55.007508
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -111.474712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.474712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.474712 (E_RNA)
where:
Base-Base interactions energy: -49.976
where: short stacking energy: -46.236
Base-Backbone interact. energy: -0.000
local terms energy: -61.498836
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -117.533881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.533881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.533881 (E_RNA)
where:
Base-Base interactions energy: -67.364
where: short stacking energy: -33.482
Base-Backbone interact. energy: 0.287
local terms energy: -50.457147
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -10.101
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: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -101.377842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.377842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.377842 (E_RNA)
where:
Base-Base interactions energy: -42.572
where: short stacking energy: -42.572
Base-Backbone interact. energy: -0.000
local terms energy: -58.805942
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -10.126
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: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -81.459587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.459587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.459587 (E_RNA)
where:
Base-Base interactions energy: -27.946
where: short stacking energy: -25.820
Base-Backbone interact. energy: -0.024
local terms energy: -53.489419
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -75.948241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.948241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.948241 (E_RNA)
where:
Base-Base interactions energy: -22.510
where: short stacking energy: -12.959
Base-Backbone interact. energy: -1.365
local terms energy: -52.073671
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -9.717
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: 9, replica: 5
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -79.232772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.232772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.232772 (E_RNA)
where:
Base-Base interactions energy: -30.427
where: short stacking energy: -25.093
Base-Backbone interact. energy: -0.238
local terms energy: -48.568391
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -88.232261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.232261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.232261 (E_RNA)
where:
Base-Base interactions energy: -44.663
where: short stacking energy: -24.492
Base-Backbone interact. energy: -0.016
local terms energy: -43.553465
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -216.539179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.539179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.539179 (E_RNA)
where:
Base-Base interactions energy: -140.972
where: short stacking energy: -66.801
Base-Backbone interact. energy: -0.005
local terms energy: -75.561477
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -20.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -172.084097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.084097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.084097 (E_RNA)
where:
Base-Base interactions energy: -97.513
where: short stacking energy: -61.892
Base-Backbone interact. energy: -0.828
local terms energy: -73.742361
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -16.687
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: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -118.227252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.227252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.227252 (E_RNA)
where:
Base-Base interactions energy: -46.991
where: short stacking energy: -46.991
Base-Backbone interact. energy: -0.008
local terms energy: -71.228026
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -13.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -98.640447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.640447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.640447 (E_RNA)
where:
Base-Base interactions energy: -43.035
where: short stacking energy: -23.038
Base-Backbone interact. energy: -0.360
local terms energy: -55.244854
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -11.322
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: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -106.262931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.262931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.262931 (E_RNA)
where:
Base-Base interactions energy: -52.960
where: short stacking energy: -28.774
Base-Backbone interact. energy: 2.268
local terms energy: -55.570368
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -10.287
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: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -82.692622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.692622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.692622 (E_RNA)
where:
Base-Base interactions energy: -36.871
where: short stacking energy: -29.371
Base-Backbone interact. energy: -0.048
local terms energy: -45.773376
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -7.452
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -9.103
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: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -92.969897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.969897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.969897 (E_RNA)
where:
Base-Base interactions energy: -39.467
where: short stacking energy: -34.959
Base-Backbone interact. energy: -0.395
local terms energy: -53.107643
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -79.548623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.548623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.548623 (E_RNA)
where:
Base-Base interactions energy: -25.988
where: short stacking energy: -23.005
Base-Backbone interact. energy: -0.005
local terms energy: -53.555520
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -7.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -89.026041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.026041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.026041 (E_RNA)
where:
Base-Base interactions energy: -36.727
where: short stacking energy: -31.089
Base-Backbone interact. energy: -0.007
local terms energy: -52.292099
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -73.686907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.686907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.686907 (E_RNA)
where:
Base-Base interactions energy: -34.942
where: short stacking energy: -25.860
Base-Backbone interact. energy: -0.123
local terms energy: -38.622770
where:
bonds (distance) C4'-P energy: -7.779
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -196.493513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.493513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.493513 (E_RNA)
where:
Base-Base interactions energy: -130.143
where: short stacking energy: -57.547
Base-Backbone interact. energy: -0.424
local terms energy: -65.926368
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -162.938479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.938479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.938479 (E_RNA)
where:
Base-Base interactions energy: -97.883
where: short stacking energy: -56.399
Base-Backbone interact. energy: -0.231
local terms energy: -64.824377
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -13.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -99.423449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.423449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.423449 (E_RNA)
where:
Base-Base interactions energy: -38.218
where: short stacking energy: -38.218
Base-Backbone interact. energy: -0.213
local terms energy: -60.991760
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -103.043147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.043147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.043147 (E_RNA)
where:
Base-Base interactions energy: -43.447
where: short stacking energy: -43.447
Base-Backbone interact. energy: -0.002
local terms energy: -59.594349
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -10.697
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: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -114.738558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.738558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.738558 (E_RNA)
where:
Base-Base interactions energy: -55.470
where: short stacking energy: -37.987
Base-Backbone interact. energy: -1.019
local terms energy: -58.249647
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -100.607355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.607355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.607355 (E_RNA)
where:
Base-Base interactions energy: -43.107
where: short stacking energy: -25.748
Base-Backbone interact. energy: -0.320
local terms energy: -57.179957
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -12.517
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: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -87.946607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.946607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.946607 (E_RNA)
where:
Base-Base interactions energy: -44.460
where: short stacking energy: -24.308
Base-Backbone interact. energy: -0.075
local terms energy: -43.411091
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -4.895
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -81.667375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.667375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.667375 (E_RNA)
where:
Base-Base interactions energy: -30.163
where: short stacking energy: -27.641
Base-Backbone interact. energy: -0.164
local terms energy: -51.339970
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -79.434035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.434035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.434035 (E_RNA)
where:
Base-Base interactions energy: -26.762
where: short stacking energy: -27.059
Base-Backbone interact. energy: -1.428
local terms energy: -51.244207
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -79.965971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.965971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.965971 (E_RNA)
where:
Base-Base interactions energy: -30.916
where: short stacking energy: -21.281
Base-Backbone interact. energy: -0.340
local terms energy: -48.709467
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -3.525
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: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -198.635360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.635360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.635360 (E_RNA)
where:
Base-Base interactions energy: -123.995
where: short stacking energy: -61.026
Base-Backbone interact. energy: -0.004
local terms energy: -74.636139
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -165.341315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.341315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.341315 (E_RNA)
where:
Base-Base interactions energy: -96.300
where: short stacking energy: -59.784
Base-Backbone interact. energy: -0.015
local terms energy: -69.026500
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -112.629668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.629668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.629668 (E_RNA)
where:
Base-Base interactions energy: -51.097
where: short stacking energy: -51.097
Base-Backbone interact. energy: -0.071
local terms energy: -61.461438
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -126.112199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.112199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.112199 (E_RNA)
where:
Base-Base interactions energy: -69.620
where: short stacking energy: -41.226
Base-Backbone interact. energy: -0.125
local terms energy: -56.367206
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -9.683
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: 5, replica: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -102.209331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.209331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.209331 (E_RNA)
where:
Base-Base interactions energy: -49.109
where: short stacking energy: -31.020
Base-Backbone interact. energy: 0.385
local terms energy: -53.484788
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -86.780628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.780628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.780628 (E_RNA)
where:
Base-Base interactions energy: -33.198
where: short stacking energy: -33.140
Base-Backbone interact. energy: -0.290
local terms energy: -53.292806
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -8.752
flat angles P-C4'-P energy: -10.180
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: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -119.966123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.966123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.966123 (E_RNA)
where:
Base-Base interactions energy: -57.997
where: short stacking energy: -44.877
Base-Backbone interact. energy: -0.161
local terms energy: -61.808696
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -82.578468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.578468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.578468 (E_RNA)
where:
Base-Base interactions energy: -30.021
where: short stacking energy: -18.028
Base-Backbone interact. energy: -0.279
local terms energy: -52.279273
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: 0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -92.266069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.266069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.266069 (E_RNA)
where:
Base-Base interactions energy: -32.592
where: short stacking energy: -32.592
Base-Backbone interact. energy: -0.149
local terms energy: -59.524447
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -10.357
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: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -77.171468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.171468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.171468 (E_RNA)
where:
Base-Base interactions energy: -30.524
where: short stacking energy: -26.510
Base-Backbone interact. energy: -0.102
local terms energy: -46.546192
where:
bonds (distance) C4'-P energy: -7.719
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -208.240764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.240764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.240764 (E_RNA)
where:
Base-Base interactions energy: -135.915
where: short stacking energy: -64.511
Base-Backbone interact. energy: -0.098
local terms energy: -72.228054
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -171.157254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.157254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.157254 (E_RNA)
where:
Base-Base interactions energy: -101.892
where: short stacking energy: -64.253
Base-Backbone interact. energy: -0.019
local terms energy: -69.246012
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -128.273688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.273688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.273688 (E_RNA)
where:
Base-Base interactions energy: -77.983
where: short stacking energy: -31.970
Base-Backbone interact. energy: 0.155
local terms energy: -50.445820
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -7.217
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -105.014199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.014199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.014199 (E_RNA)
where:
Base-Base interactions energy: -44.335
where: short stacking energy: -44.335
Base-Backbone interact. energy: -0.059
local terms energy: -60.620658
where:
bonds (distance) C4'-P energy: -6.333
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -118.677204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.677204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.677204 (E_RNA)
where:
Base-Base interactions energy: -65.520
where: short stacking energy: -38.508
Base-Backbone interact. energy: -0.643
local terms energy: -52.513961
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -9.505
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -8.690
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: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -84.413913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.413913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.413913 (E_RNA)
where:
Base-Base interactions energy: -27.393
where: short stacking energy: -13.304
Base-Backbone interact. energy: -0.704
local terms energy: -56.316993
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -2.201
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: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -135.054788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.054788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.054788 (E_RNA)
where:
Base-Base interactions energy: -74.692
where: short stacking energy: -41.424
Base-Backbone interact. energy: -0.054
local terms energy: -60.309002
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -12.595
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: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -86.192935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.192935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.192935 (E_RNA)
where:
Base-Base interactions energy: -36.548
where: short stacking energy: -28.578
Base-Backbone interact. energy: -0.035
local terms energy: -49.609570
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -79.743507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.743507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.743507 (E_RNA)
where:
Base-Base interactions energy: -31.421
where: short stacking energy: -30.860
Base-Backbone interact. energy: -0.045
local terms energy: -48.277144
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -1.812
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: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -69.585437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.585437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.585437 (E_RNA)
where:
Base-Base interactions energy: -22.260
where: short stacking energy: -22.260
Base-Backbone interact. energy: -0.041
local terms energy: -47.283839
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -4.705
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: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -208.347826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.347826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.347826 (E_RNA)
where:
Base-Base interactions energy: -141.041
where: short stacking energy: -64.171
Base-Backbone interact. energy: -0.001
local terms energy: -67.305539
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -184.237825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.237825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.237825 (E_RNA)
where:
Base-Base interactions energy: -111.470
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.013
local terms energy: -72.755336
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -119.323371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.323371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.323371 (E_RNA)
where:
Base-Base interactions energy: -60.476
where: short stacking energy: -41.625
Base-Backbone interact. energy: -0.883
local terms energy: -57.965071
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -11.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -111.492362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.492362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.492362 (E_RNA)
where:
Base-Base interactions energy: -52.873
where: short stacking energy: -49.312
Base-Backbone interact. energy: -0.228
local terms energy: -58.391709
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -9.377
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -96.389946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.389946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.389946 (E_RNA)
where:
Base-Base interactions energy: -37.175
where: short stacking energy: -27.862
Base-Backbone interact. energy: -0.125
local terms energy: -59.089461
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -5.391
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: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -151.390220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.390220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.390220 (E_RNA)
where:
Base-Base interactions energy: -96.170
where: short stacking energy: -41.000
Base-Backbone interact. energy: 2.102
local terms energy: -57.322064
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -89.662531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.662531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.662531 (E_RNA)
where:
Base-Base interactions energy: -41.934
where: short stacking energy: -37.850
Base-Backbone interact. energy: 0.023
local terms energy: -47.751662
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -77.090511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.090511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.090511 (E_RNA)
where:
Base-Base interactions energy: -34.058
where: short stacking energy: -21.291
Base-Backbone interact. energy: -0.143
local terms energy: -42.889414
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: 0.447
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: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -79.214938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.214938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.214938 (E_RNA)
where:
Base-Base interactions energy: -24.840
where: short stacking energy: -15.346
Base-Backbone interact. energy: -0.278
local terms energy: -54.096313
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -6.478
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: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -80.951818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.951818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.951818 (E_RNA)
where:
Base-Base interactions energy: -26.694
where: short stacking energy: -18.494
Base-Backbone interact. energy: -0.117
local terms energy: -54.140309
where:
bonds (distance) C4'-P energy: -9.066
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -212.817013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.817013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.817013 (E_RNA)
where:
Base-Base interactions energy: -135.545
where: short stacking energy: -63.935
Base-Backbone interact. energy: -0.095
local terms energy: -77.177067
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -21.617
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: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -164.186388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.186388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.186388 (E_RNA)
where:
Base-Base interactions energy: -94.934
where: short stacking energy: -57.480
Base-Backbone interact. energy: -0.369
local terms energy: -68.883428
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -126.854835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.854835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.854835 (E_RNA)
where:
Base-Base interactions energy: -66.367
where: short stacking energy: -57.863
Base-Backbone interact. energy: -0.000
local terms energy: -60.487210
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -16.292
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: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -109.536313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.536313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.536313 (E_RNA)
where:
Base-Base interactions energy: -43.716
where: short stacking energy: -43.716
Base-Backbone interact. energy: -0.467
local terms energy: -65.353577
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -154.131878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.131878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.131878 (E_RNA)
where:
Base-Base interactions energy: -95.159
where: short stacking energy: -35.041
Base-Backbone interact. energy: -0.479
local terms energy: -58.494617
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -8.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -87.603645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.603645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.603645 (E_RNA)
where:
Base-Base interactions energy: -33.134
where: short stacking energy: -32.805
Base-Backbone interact. energy: -0.019
local terms energy: -54.451036
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -93.167485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.167485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.167485 (E_RNA)
where:
Base-Base interactions energy: -47.041
where: short stacking energy: -46.904
Base-Backbone interact. energy: 0.241
local terms energy: -46.367797
where:
bonds (distance) C4'-P energy: -1.993
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -9.502
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: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -89.601644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.601644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.601644 (E_RNA)
where:
Base-Base interactions energy: -36.154
where: short stacking energy: -34.035
Base-Backbone interact. energy: -0.188
local terms energy: -53.259764
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -1.828
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: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -80.145792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.145792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.145792 (E_RNA)
where:
Base-Base interactions energy: -33.990
where: short stacking energy: -13.432
Base-Backbone interact. energy: -0.165
local terms energy: -45.990775
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -5.703
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: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -73.399577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.399577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.399577 (E_RNA)
where:
Base-Base interactions energy: -27.054
where: short stacking energy: -25.906
Base-Backbone interact. energy: -0.223
local terms energy: -46.122551
where:
bonds (distance) C4'-P energy: -7.082
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -8.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -209.436660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.436660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.436660 (E_RNA)
where:
Base-Base interactions energy: -141.897
where: short stacking energy: -66.649
Base-Backbone interact. energy: -0.011
local terms energy: -67.529287
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -3.154
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -166.963226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.963226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.963226 (E_RNA)
where:
Base-Base interactions energy: -102.901
where: short stacking energy: -55.806
Base-Backbone interact. energy: -0.220
local terms energy: -63.841946
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -11.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -107.532817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.532817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.532817 (E_RNA)
where:
Base-Base interactions energy: -52.987
where: short stacking energy: -42.275
Base-Backbone interact. energy: 0.551
local terms energy: -55.097326
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -175.083992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.083992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.083992 (E_RNA)
where:
Base-Base interactions energy: -112.769
where: short stacking energy: -49.535
Base-Backbone interact. energy: -1.543
local terms energy: -60.772375
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -93.922227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.922227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.922227 (E_RNA)
where:
Base-Base interactions energy: -42.139
where: short stacking energy: -29.170
Base-Backbone interact. energy: -0.131
local terms energy: -51.651748
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -2.570
tors. eta vs tors. theta energy: -6.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -87.910386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.910386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.910386 (E_RNA)
where:
Base-Base interactions energy: -32.559
where: short stacking energy: -29.510
Base-Backbone interact. energy: 0.002
local terms energy: -55.353227
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -6.084
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: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -77.789600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.789600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.789600 (E_RNA)
where:
Base-Base interactions energy: -29.875
where: short stacking energy: -27.556
Base-Backbone interact. energy: 2.021
local terms energy: -49.935184
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -90.362193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.362193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.362193 (E_RNA)
where:
Base-Base interactions energy: -35.630
where: short stacking energy: -35.630
Base-Backbone interact. energy: -0.151
local terms energy: -54.580801
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -73.016809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.016809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.016809 (E_RNA)
where:
Base-Base interactions energy: -23.710
where: short stacking energy: -20.341
Base-Backbone interact. energy: -0.202
local terms energy: -49.105098
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -10.582
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: 17
Temperature: 1.350000
Total energy: -68.783591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.783591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.783591 (E_RNA)
where:
Base-Base interactions energy: -29.365
where: short stacking energy: -22.537
Base-Backbone interact. energy: -0.068
local terms energy: -39.351074
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -10.265
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -4.628
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: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -208.320566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.320566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.320566 (E_RNA)
where:
Base-Base interactions energy: -136.744
where: short stacking energy: -60.045
Base-Backbone interact. energy: -0.001
local terms energy: -71.575851
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -168.639565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.639565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.639565 (E_RNA)
where:
Base-Base interactions energy: -103.013
where: short stacking energy: -53.428
Base-Backbone interact. energy: -0.297
local terms energy: -65.329279
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -11.938
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: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -168.772227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.772227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.772227 (E_RNA)
where:
Base-Base interactions energy: -102.671
where: short stacking energy: -51.673
Base-Backbone interact. energy: 0.703
local terms energy: -66.804418
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -103.073276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.073276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.073276 (E_RNA)
where:
Base-Base interactions energy: -50.538
where: short stacking energy: -45.330
Base-Backbone interact. energy: -0.091
local terms energy: -52.444892
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -3.670
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: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -95.964310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.964310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.964310 (E_RNA)
where:
Base-Base interactions energy: -42.509
where: short stacking energy: -39.278
Base-Backbone interact. energy: -0.022
local terms energy: -53.433416
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -9.151
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: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -90.612108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.612108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.612108 (E_RNA)
where:
Base-Base interactions energy: -44.498
where: short stacking energy: -44.598
Base-Backbone interact. energy: -0.023
local terms energy: -46.091117
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -9.603
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -11.997
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: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -77.608147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.608147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.608147 (E_RNA)
where:
Base-Base interactions energy: -26.315
where: short stacking energy: -26.315
Base-Backbone interact. energy: 1.640
local terms energy: -52.932595
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -5.671
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: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -95.694845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.694845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.694845 (E_RNA)
where:
Base-Base interactions energy: -35.733
where: short stacking energy: -35.733
Base-Backbone interact. energy: -0.102
local terms energy: -59.860357
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -87.919366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.919366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.919366 (E_RNA)
where:
Base-Base interactions energy: -33.708
where: short stacking energy: -28.401
Base-Backbone interact. energy: -0.815
local terms energy: -53.396459
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -73.466459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.466459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.466459 (E_RNA)
where:
Base-Base interactions energy: -31.535
where: short stacking energy: -24.271
Base-Backbone interact. energy: -0.155
local terms energy: -41.776735
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -8.587
flat angles C4'-P-C4' energy: -8.074
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -205.878944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.878944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.878944 (E_RNA)
where:
Base-Base interactions energy: -132.918
where: short stacking energy: -60.774
Base-Backbone interact. energy: -0.158
local terms energy: -72.803241
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -20.880
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: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -179.569318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.569318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.569318 (E_RNA)
where:
Base-Base interactions energy: -115.945
where: short stacking energy: -50.822
Base-Backbone interact. energy: -0.610
local terms energy: -63.013999
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -161.327877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.327877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.327877 (E_RNA)
where:
Base-Base interactions energy: -88.301
where: short stacking energy: -51.142
Base-Backbone interact. energy: -0.011
local terms energy: -73.015535
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -94.935099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.935099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.935099 (E_RNA)
where:
Base-Base interactions energy: -50.220
where: short stacking energy: -32.332
Base-Backbone interact. energy: 0.826
local terms energy: -45.541522
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -11.104
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: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -122.029655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.029655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.029655 (E_RNA)
where:
Base-Base interactions energy: -76.819
where: short stacking energy: -28.133
Base-Backbone interact. energy: -0.218
local terms energy: -44.992813
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -86.789632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.789632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.789632 (E_RNA)
where:
Base-Base interactions energy: -33.011
where: short stacking energy: -30.001
Base-Backbone interact. energy: 0.599
local terms energy: -54.377792
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -9.440
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -6.429
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: 19
Temperature: 1.200000
Total energy: -91.621883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.621883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.621883 (E_RNA)
where:
Base-Base interactions energy: -46.313
where: short stacking energy: -36.587
Base-Backbone interact. energy: -0.019
local terms energy: -45.290159
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -8.382
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -90.611759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.611759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.611759 (E_RNA)
where:
Base-Base interactions energy: -47.245
where: short stacking energy: -21.961
Base-Backbone interact. energy: 0.225
local terms energy: -43.591520
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -7.581
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: 2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -79.113042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.113042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.113042 (E_RNA)
where:
Base-Base interactions energy: -31.772
where: short stacking energy: -25.083
Base-Backbone interact. energy: -0.193
local terms energy: -47.148090
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -72.288411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.288411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.288411 (E_RNA)
where:
Base-Base interactions energy: -37.801
where: short stacking energy: -23.460
Base-Backbone interact. energy: -0.360
local terms energy: -34.126562
where:
bonds (distance) C4'-P energy: -7.195
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -2.632
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: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -176.156951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.156951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.156951 (E_RNA)
where:
Base-Base interactions energy: -106.739
where: short stacking energy: -50.246
Base-Backbone interact. energy: -0.292
local terms energy: -69.126203
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -203.715903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.715903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.715903 (E_RNA)
where:
Base-Base interactions energy: -138.713
where: short stacking energy: -58.964
Base-Backbone interact. energy: -0.357
local terms energy: -64.646502
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -160.534972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.534972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.534972 (E_RNA)
where:
Base-Base interactions energy: -88.779
where: short stacking energy: -57.083
Base-Backbone interact. energy: -0.191
local terms energy: -71.564144
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -133.538545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.538545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.538545 (E_RNA)
where:
Base-Base interactions energy: -72.218
where: short stacking energy: -51.069
Base-Backbone interact. energy: -0.002
local terms energy: -61.318178
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -109.087921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.087921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.087921 (E_RNA)
where:
Base-Base interactions energy: -58.266
where: short stacking energy: -29.143
Base-Backbone interact. energy: -0.052
local terms energy: -50.769952
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -7.695
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: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -100.077171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.077171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.077171 (E_RNA)
where:
Base-Base interactions energy: -56.149
where: short stacking energy: -25.741
Base-Backbone interact. energy: -0.204
local terms energy: -43.723790
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -3.357
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: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -83.164655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.164655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.164655 (E_RNA)
where:
Base-Base interactions energy: -34.254
where: short stacking energy: -33.012
Base-Backbone interact. energy: 0.116
local terms energy: -49.026568
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -76.584864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.584864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.584864 (E_RNA)
where:
Base-Base interactions energy: -28.928
where: short stacking energy: -26.151
Base-Backbone interact. energy: -0.153
local terms energy: -47.503864
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -1.097
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: 20
Temperature: 1.300000
Total energy: -100.823326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.823326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.823326 (E_RNA)
where:
Base-Base interactions energy: -50.873
where: short stacking energy: -39.277
Base-Backbone interact. energy: -0.061
local terms energy: -49.888760
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -76.138119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.138119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.138119 (E_RNA)
where:
Base-Base interactions energy: -23.947
where: short stacking energy: -15.519
Base-Backbone interact. energy: -0.245
local terms energy: -51.946121
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -174.593351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.593351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.593351 (E_RNA)
where:
Base-Base interactions energy: -103.912
where: short stacking energy: -60.870
Base-Backbone interact. energy: -0.175
local terms energy: -70.506333
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -17.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -200.258104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.258104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.258104 (E_RNA)
where:
Base-Base interactions energy: -136.880
where: short stacking energy: -59.523
Base-Backbone interact. energy: -0.390
local terms energy: -62.988453
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -19.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -155.081281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.081281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.081281 (E_RNA)
where:
Base-Base interactions energy: -87.694
where: short stacking energy: -49.459
Base-Backbone interact. energy: -0.505
local terms energy: -66.881699
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -123.350313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.350313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.350313 (E_RNA)
where:
Base-Base interactions energy: -60.641
where: short stacking energy: -32.142
Base-Backbone interact. energy: -0.214
local terms energy: -62.495278
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -9.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -111.737836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.737836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.737836 (E_RNA)
where:
Base-Base interactions energy: -50.508
where: short stacking energy: -45.754
Base-Backbone interact. energy: -0.033
local terms energy: -61.196628
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -13.298
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: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -103.167708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.167708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.167708 (E_RNA)
where:
Base-Base interactions energy: -57.350
where: short stacking energy: -38.071
Base-Backbone interact. energy: -0.256
local terms energy: -45.561352
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -2.020
tors. eta vs tors. theta energy: -7.971
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: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -75.727240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.727240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.727240 (E_RNA)
where:
Base-Base interactions energy: -28.386
where: short stacking energy: -25.046
Base-Backbone interact. energy: -0.247
local terms energy: -47.094301
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -7.282
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: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -90.714122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.714122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.714122 (E_RNA)
where:
Base-Base interactions energy: -41.234
where: short stacking energy: -25.428
Base-Backbone interact. energy: -0.385
local terms energy: -49.095289
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: 0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -76.104875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.104875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.104875 (E_RNA)
where:
Base-Base interactions energy: -26.160
where: short stacking energy: -26.160
Base-Backbone interact. energy: -0.189
local terms energy: -49.755627
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -70.216310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.216310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.216310 (E_RNA)
where:
Base-Base interactions energy: -28.119
where: short stacking energy: -11.370
Base-Backbone interact. energy: -0.373
local terms energy: -41.723757
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -6.453
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: 1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -208.769939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.769939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.769939 (E_RNA)
where:
Base-Base interactions energy: -130.802
where: short stacking energy: -60.828
Base-Backbone interact. energy: -0.003
local terms energy: -77.965399
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -161.270079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.270079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.270079 (E_RNA)
where:
Base-Base interactions energy: -100.162
where: short stacking energy: -47.741
Base-Backbone interact. energy: -0.866
local terms energy: -60.242236
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -8.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -165.364162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.364162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.364162 (E_RNA)
where:
Base-Base interactions energy: -89.946
where: short stacking energy: -56.160
Base-Backbone interact. energy: -1.383
local terms energy: -74.035125
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -134.039868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.039868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.039868 (E_RNA)
where:
Base-Base interactions energy: -76.708
where: short stacking energy: -42.213
Base-Backbone interact. energy: -0.297
local terms energy: -57.035009
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -1.918
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: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -91.157392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.157392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.157392 (E_RNA)
where:
Base-Base interactions energy: -35.836
where: short stacking energy: -29.555
Base-Backbone interact. energy: -0.042
local terms energy: -55.278815
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -8.494
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: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -90.917690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.917690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.917690 (E_RNA)
where:
Base-Base interactions energy: -43.115
where: short stacking energy: -29.101
Base-Backbone interact. energy: -0.690
local terms energy: -47.113185
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -8.095
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.502
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: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -82.677541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.677541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.677541 (E_RNA)
where:
Base-Base interactions energy: -31.738
where: short stacking energy: -26.331
Base-Backbone interact. energy: -0.276
local terms energy: -50.663624
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -9.841
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: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -129.982127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.982127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.982127 (E_RNA)
where:
Base-Base interactions energy: -78.116
where: short stacking energy: -32.614
Base-Backbone interact. energy: -0.110
local terms energy: -51.755897
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -5.169
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: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -77.112221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.112221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.112221 (E_RNA)
where:
Base-Base interactions energy: -27.736
where: short stacking energy: -21.441
Base-Backbone interact. energy: -1.250
local terms energy: -48.126719
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -68.163133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.163133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.163133 (E_RNA)
where:
Base-Base interactions energy: -29.381
where: short stacking energy: -25.179
Base-Backbone interact. energy: -0.170
local terms energy: -38.611855
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -9.783
flat angles C4'-P-C4' energy: -7.359
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -209.987226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.987226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.987226 (E_RNA)
where:
Base-Base interactions energy: -140.468
where: short stacking energy: -63.043
Base-Backbone interact. energy: -0.001
local terms energy: -69.518083
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -176.019781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.019781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.019781 (E_RNA)
where:
Base-Base interactions energy: -109.155
where: short stacking energy: -60.074
Base-Backbone interact. energy: -0.424
local terms energy: -66.440453
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -16.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -167.080803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.080803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.080803 (E_RNA)
where:
Base-Base interactions energy: -105.279
where: short stacking energy: -60.359
Base-Backbone interact. energy: -0.142
local terms energy: -61.660513
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -11.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -100.690564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.690564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.690564 (E_RNA)
where:
Base-Base interactions energy: -42.247
where: short stacking energy: -42.127
Base-Backbone interact. energy: -0.102
local terms energy: -58.341331
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -11.567
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: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -133.042714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.042714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.042714 (E_RNA)
where:
Base-Base interactions energy: -69.445
where: short stacking energy: -43.644
Base-Backbone interact. energy: -0.023
local terms energy: -63.574711
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -12.549
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: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -104.917685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.917685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.917685 (E_RNA)
where:
Base-Base interactions energy: -53.629
where: short stacking energy: -35.017
Base-Backbone interact. energy: -0.146
local terms energy: -51.142401
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -97.755044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.755044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.755044 (E_RNA)
where:
Base-Base interactions energy: -40.188
where: short stacking energy: -36.172
Base-Backbone interact. energy: 2.488
local terms energy: -60.055117
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -5.296
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: 23
Temperature: 1.250000
Total energy: -138.795381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.795381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.795381 (E_RNA)
where:
Base-Base interactions energy: -79.696
where: short stacking energy: -39.158
Base-Backbone interact. energy: -0.006
local terms energy: -59.093404
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -9.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -95.542166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.542166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.542166 (E_RNA)
where:
Base-Base interactions energy: -52.189
where: short stacking energy: -32.860
Base-Backbone interact. energy: -0.132
local terms energy: -43.221370
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: -4.428
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: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -70.413301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.413301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.413301 (E_RNA)
where:
Base-Base interactions energy: -23.724
where: short stacking energy: -22.019
Base-Backbone interact. energy: 3.042
local terms energy: -49.730548
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -9.566
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: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -211.177679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.177679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.177679 (E_RNA)
where:
Base-Base interactions energy: -139.733
where: short stacking energy: -59.236
Base-Backbone interact. energy: -0.768
local terms energy: -70.675716
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -170.752224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.752224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.752224 (E_RNA)
where:
Base-Base interactions energy: -107.565
where: short stacking energy: -51.873
Base-Backbone interact. energy: -0.004
local terms energy: -63.183465
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -166.324111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.324111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.324111 (E_RNA)
where:
Base-Base interactions energy: -92.239
where: short stacking energy: -52.165
Base-Backbone interact. energy: -0.305
local terms energy: -73.780257
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -17.764
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: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -102.526756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.526756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.526756 (E_RNA)
where:
Base-Base interactions energy: -43.837
where: short stacking energy: -43.471
Base-Backbone interact. energy: 0.327
local terms energy: -59.016146
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -145.862969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.862969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.862969 (E_RNA)
where:
Base-Base interactions energy: -85.797
where: short stacking energy: -45.338
Base-Backbone interact. energy: -0.071
local terms energy: -59.995529
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -11.116
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: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -117.201983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.201983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.201983 (E_RNA)
where:
Base-Base interactions energy: -65.686
where: short stacking energy: -30.663
Base-Backbone interact. energy: -0.216
local terms energy: -51.300616
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -3.394
tors. eta vs tors. theta energy: -7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -153.606942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.606942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.606942 (E_RNA)
where:
Base-Base interactions energy: -91.546
where: short stacking energy: -40.904
Base-Backbone interact. energy: -0.029
local terms energy: -62.032363
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -7.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -83.256314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.256314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.256314 (E_RNA)
where:
Base-Base interactions energy: -30.141
where: short stacking energy: -26.321
Base-Backbone interact. energy: -0.132
local terms energy: -52.983574
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -82.818121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.818121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.818121 (E_RNA)
where:
Base-Base interactions energy: -24.903
where: short stacking energy: -24.903
Base-Backbone interact. energy: -0.111
local terms energy: -57.804153
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -9.668
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: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -68.284425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.284425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.284425 (E_RNA)
where:
Base-Base interactions energy: -25.900
where: short stacking energy: -17.100
Base-Backbone interact. energy: -0.130
local terms energy: -42.254598
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -200.863829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.863829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.863829 (E_RNA)
where:
Base-Base interactions energy: -132.757
where: short stacking energy: -56.673
Base-Backbone interact. energy: -0.001
local terms energy: -68.105770
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -165.149787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.149787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.149787 (E_RNA)
where:
Base-Base interactions energy: -104.147
where: short stacking energy: -52.104
Base-Backbone interact. energy: -0.499
local terms energy: -60.503554
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -11.795
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: 3, replica: 6
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -168.013419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.013419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.013419 (E_RNA)
where:
Base-Base interactions energy: -106.227
where: short stacking energy: -45.539
Base-Backbone interact. energy: 0.319
local terms energy: -62.105025
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -11.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -149.205871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.205871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.205871 (E_RNA)
where:
Base-Base interactions energy: -94.044
where: short stacking energy: -41.069
Base-Backbone interact. energy: -1.468
local terms energy: -53.693433
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -91.013048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.013048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.013048 (E_RNA)
where:
Base-Base interactions energy: -38.896
where: short stacking energy: -30.937
Base-Backbone interact. energy: 0.363
local terms energy: -52.480704
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -7.620
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: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -151.109738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.109738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.109738 (E_RNA)
where:
Base-Base interactions energy: -91.218
where: short stacking energy: -41.804
Base-Backbone interact. energy: -0.101
local terms energy: -59.790048
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -10.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -95.842621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.842621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.842621 (E_RNA)
where:
Base-Base interactions energy: -45.109
where: short stacking energy: -28.738
Base-Backbone interact. energy: -0.648
local terms energy: -50.085849
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -6.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -99.274482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.274482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.274482 (E_RNA)
where:
Base-Base interactions energy: -41.483
where: short stacking energy: -27.895
Base-Backbone interact. energy: -0.220
local terms energy: -57.571625
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -9.108
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: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -79.267623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.267623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.267623 (E_RNA)
where:
Base-Base interactions energy: -32.987
where: short stacking energy: -30.201
Base-Backbone interact. energy: 3.023
local terms energy: -49.303766
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -7.268
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: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -91.939540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.939540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.939540 (E_RNA)
where:
Base-Base interactions energy: -42.617
where: short stacking energy: -23.267
Base-Backbone interact. energy: -0.208
local terms energy: -49.114319
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -4.237
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: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -213.090333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.090333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.090333 (E_RNA)
where:
Base-Base interactions energy: -136.369
where: short stacking energy: -61.183
Base-Backbone interact. energy: -0.090
local terms energy: -76.631069
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -21.693
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: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -157.708475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.708475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.708475 (E_RNA)
where:
Base-Base interactions energy: -93.461
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.088
local terms energy: -64.159238
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -164.765303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.765303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.765303 (E_RNA)
where:
Base-Base interactions energy: -103.524
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.114
local terms energy: -61.127025
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -10.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -153.647065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.647065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.647065 (E_RNA)
where:
Base-Base interactions energy: -103.185
where: short stacking energy: -41.133
Base-Backbone interact. energy: -0.140
local terms energy: -50.322704
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -159.642044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.642044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.642044 (E_RNA)
where:
Base-Base interactions energy: -98.280
where: short stacking energy: -46.360
Base-Backbone interact. energy: -0.443
local terms energy: -60.919180
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -84.790360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.790360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.790360 (E_RNA)
where:
Base-Base interactions energy: -33.766
where: short stacking energy: -19.630
Base-Backbone interact. energy: 0.347
local terms energy: -51.370487
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -4.699
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: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -124.503358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.503358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.503358 (E_RNA)
where:
Base-Base interactions energy: -77.739
where: short stacking energy: -41.166
Base-Backbone interact. energy: 1.715
local terms energy: -48.479192
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -8.751
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -4.714
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: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -73.666381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.666381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.666381 (E_RNA)
where:
Base-Base interactions energy: -30.609
where: short stacking energy: -25.449
Base-Backbone interact. energy: -0.102
local terms energy: -42.956104
where:
bonds (distance) C4'-P energy: -7.543
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -71.305045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.305045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.305045 (E_RNA)
where:
Base-Base interactions energy: -20.591
where: short stacking energy: -20.591
Base-Backbone interact. energy: -0.053
local terms energy: -50.661218
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -7.764
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -1.559
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: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -74.699236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.699236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.699236 (E_RNA)
where:
Base-Base interactions energy: -35.234
where: short stacking energy: -24.654
Base-Backbone interact. energy: -0.248
local terms energy: -39.217168
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -7.853
flat angles P-C4'-P energy: -6.455
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: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -210.219261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.219261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.219261 (E_RNA)
where:
Base-Base interactions energy: -140.824
where: short stacking energy: -64.190
Base-Backbone interact. energy: -0.104
local terms energy: -69.290799
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -19.609
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: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -166.558686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.558686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.558686 (E_RNA)
where:
Base-Base interactions energy: -96.291
where: short stacking energy: -64.872
Base-Backbone interact. energy: -0.001
local terms energy: -70.267077
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -15.154
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: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -186.196756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.196756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.196756 (E_RNA)
where:
Base-Base interactions energy: -120.092
where: short stacking energy: -43.986
Base-Backbone interact. energy: -0.194
local terms energy: -65.910531
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -19.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -164.722097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.722097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.722097 (E_RNA)
where:
Base-Base interactions energy: -106.583
where: short stacking energy: -45.702
Base-Backbone interact. energy: -0.003
local terms energy: -58.135932
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -13.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -149.836998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.836998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.836998 (E_RNA)
where:
Base-Base interactions energy: -86.949
where: short stacking energy: -35.212
Base-Backbone interact. energy: 0.083
local terms energy: -62.970894
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -6.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -109.346747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.346747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.346747 (E_RNA)
where:
Base-Base interactions energy: -49.546
where: short stacking energy: -43.731
Base-Backbone interact. energy: -0.052
local terms energy: -59.748537
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -9.741
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: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -98.381671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.381671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.381671 (E_RNA)
where:
Base-Base interactions energy: -59.358
where: short stacking energy: -29.730
Base-Backbone interact. energy: 0.749
local terms energy: -39.772587
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -3.511
tors. eta vs tors. theta energy: 0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -77.792863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.792863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.792863 (E_RNA)
where:
Base-Base interactions energy: -28.965
where: short stacking energy: -28.965
Base-Backbone interact. energy: -0.203
local terms energy: -48.624591
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -5.116
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: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -86.447595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.447595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.447595 (E_RNA)
where:
Base-Base interactions energy: -39.616
where: short stacking energy: -39.031
Base-Backbone interact. energy: 0.162
local terms energy: -46.994423
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -7.011
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -9.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -76.569887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.569887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.569887 (E_RNA)
where:
Base-Base interactions energy: -27.042
where: short stacking energy: -27.042
Base-Backbone interact. energy: 0.916
local terms energy: -50.443933
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -8.501
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: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -168.624950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.624950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.624950 (E_RNA)
where:
Base-Base interactions energy: -108.572
where: short stacking energy: -62.639
Base-Backbone interact. energy: -0.108
local terms energy: -59.945015
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -13.739
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: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -203.747209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.747209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.747209 (E_RNA)
where:
Base-Base interactions energy: -128.424
where: short stacking energy: -63.460
Base-Backbone interact. energy: 1.013
local terms energy: -76.336813
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -193.275112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.275112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.275112 (E_RNA)
where:
Base-Base interactions energy: -126.088
where: short stacking energy: -59.067
Base-Backbone interact. energy: -0.487
local terms energy: -66.700086
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -160.076129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.076129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.076129 (E_RNA)
where:
Base-Base interactions energy: -102.402
where: short stacking energy: -44.994
Base-Backbone interact. energy: -0.006
local terms energy: -57.667377
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -114.864492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.864492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.864492 (E_RNA)
where:
Base-Base interactions energy: -53.330
where: short stacking energy: -33.193
Base-Backbone interact. energy: -1.310
local terms energy: -60.224354
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -10.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -141.407677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.407677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.407677 (E_RNA)
where:
Base-Base interactions energy: -77.807
where: short stacking energy: -39.574
Base-Backbone interact. energy: -0.094
local terms energy: -63.506543
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -99.272860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.272860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.272860 (E_RNA)
where:
Base-Base interactions energy: -46.421
where: short stacking energy: -30.557
Base-Backbone interact. energy: -0.154
local terms energy: -52.698793
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -10.370
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: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -83.335045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.335045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.335045 (E_RNA)
where:
Base-Base interactions energy: -28.950
where: short stacking energy: -28.950
Base-Backbone interact. energy: -0.020
local terms energy: -54.365579
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -5.923
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: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -95.695108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.695108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.695108 (E_RNA)
where:
Base-Base interactions energy: -48.424
where: short stacking energy: -14.401
Base-Backbone interact. energy: 0.223
local terms energy: -47.494131
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -10.166
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: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -79.606398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.606398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.606398 (E_RNA)
where:
Base-Base interactions energy: -23.970
where: short stacking energy: -23.970
Base-Backbone interact. energy: -0.143
local terms energy: -55.493460
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.642
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: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -178.997909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.997909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.997909 (E_RNA)
where:
Base-Base interactions energy: -97.585
where: short stacking energy: -62.569
Base-Backbone interact. energy: -0.043
local terms energy: -81.369198
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -204.563697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.563697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.563697 (E_RNA)
where:
Base-Base interactions energy: -130.315
where: short stacking energy: -61.711
Base-Backbone interact. energy: -0.120
local terms energy: -74.128923
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -202.106792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.106792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.106792 (E_RNA)
where:
Base-Base interactions energy: -128.438
where: short stacking energy: -56.078
Base-Backbone interact. energy: -0.001
local terms energy: -73.667968
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -124.565628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.565628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.565628 (E_RNA)
where:
Base-Base interactions energy: -61.571
where: short stacking energy: -45.207
Base-Backbone interact. energy: -0.018
local terms energy: -62.975818
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -9.514
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: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -156.939647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.939647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.939647 (E_RNA)
where:
Base-Base interactions energy: -91.372
where: short stacking energy: -41.290
Base-Backbone interact. energy: -0.812
local terms energy: -64.755006
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -13.490
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: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -132.367696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.367696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.367696 (E_RNA)
where:
Base-Base interactions energy: -80.516
where: short stacking energy: -31.854
Base-Backbone interact. energy: -0.135
local terms energy: -51.717056
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -9.826
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -11.505
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: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -77.696194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.696194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.696194 (E_RNA)
where:
Base-Base interactions energy: -29.812
where: short stacking energy: -25.805
Base-Backbone interact. energy: 0.019
local terms energy: -47.902752
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -9.908
flat angles P-C4'-P energy: -10.407
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: 8, replica: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -114.209887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.209887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.209887 (E_RNA)
where:
Base-Base interactions energy: -58.505
where: short stacking energy: -26.848
Base-Backbone interact. energy: -0.054
local terms energy: -55.650200
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -8.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -84.609425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.609425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.609425 (E_RNA)
where:
Base-Base interactions energy: -40.613
where: short stacking energy: -31.437
Base-Backbone interact. energy: 0.545
local terms energy: -44.541845
where:
bonds (distance) C4'-P energy: -7.990
bonds (distance) P-C4' energy: -11.301
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -73.632575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.632575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.632575 (E_RNA)
where:
Base-Base interactions energy: -19.899
where: short stacking energy: -16.720
Base-Backbone interact. energy: -1.561
local terms energy: -52.172786
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -11.783
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: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -208.614229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.614229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.614229 (E_RNA)
where:
Base-Base interactions energy: -139.318
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.245
local terms energy: -69.050995
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -170.233729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.233729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.233729 (E_RNA)
where:
Base-Base interactions energy: -97.481
where: short stacking energy: -60.778
Base-Backbone interact. energy: -0.171
local terms energy: -72.582185
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -196.616023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.616023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.616023 (E_RNA)
where:
Base-Base interactions energy: -123.615
where: short stacking energy: -59.745
Base-Backbone interact. energy: -0.113
local terms energy: -72.888091
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -116.351780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.351780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.351780 (E_RNA)
where:
Base-Base interactions energy: -53.992
where: short stacking energy: -48.940
Base-Backbone interact. energy: -0.001
local terms energy: -62.358045
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -10.321
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: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -147.776282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.776282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.776282 (E_RNA)
where:
Base-Base interactions energy: -90.587
where: short stacking energy: -44.248
Base-Backbone interact. energy: -0.012
local terms energy: -57.177467
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -10.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -89.919431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.919431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.919431 (E_RNA)
where:
Base-Base interactions energy: -30.881
where: short stacking energy: -30.881
Base-Backbone interact. energy: -0.068
local terms energy: -58.970786
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -5.203
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: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -108.688910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.688910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.688910 (E_RNA)
where:
Base-Base interactions energy: -63.444
where: short stacking energy: -40.458
Base-Backbone interact. energy: -0.608
local terms energy: -44.636767
where:
bonds (distance) C4'-P energy: -7.489
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -7.965
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -6.815
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: 30
Temperature: 1.250000
Total energy: -102.960257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.960257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.960257 (E_RNA)
where:
Base-Base interactions energy: -56.639
where: short stacking energy: -28.861
Base-Backbone interact. energy: 0.602
local terms energy: -46.923642
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -7.869
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: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -83.913577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.913577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.913577 (E_RNA)
where:
Base-Base interactions energy: -28.452
where: short stacking energy: -24.705
Base-Backbone interact. energy: -0.117
local terms energy: -55.344475
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -5.181
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: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -70.064012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.064012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.064012 (E_RNA)
where:
Base-Base interactions energy: -26.667
where: short stacking energy: -24.552
Base-Backbone interact. energy: -0.420
local terms energy: -42.976793
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -5.805
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: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -207.965620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.965620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.965620 (E_RNA)
where:
Base-Base interactions energy: -140.480
where: short stacking energy: -66.273
Base-Backbone interact. energy: -0.194
local terms energy: -67.291230
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -19.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -204.096253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.096253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.096253 (E_RNA)
where:
Base-Base interactions energy: -130.162
where: short stacking energy: -61.203
Base-Backbone interact. energy: -0.088
local terms energy: -73.846658
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -20.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -157.373601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.373601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.373601 (E_RNA)
where:
Base-Base interactions energy: -96.903
where: short stacking energy: -51.461
Base-Backbone interact. energy: -0.228
local terms energy: -60.242760
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -148.873170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.873170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.873170 (E_RNA)
where:
Base-Base interactions energy: -91.780
where: short stacking energy: -47.530
Base-Backbone interact. energy: -0.171
local terms energy: -56.921976
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -140.348097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.348097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.348097 (E_RNA)
where:
Base-Base interactions energy: -88.769
where: short stacking energy: -30.146
Base-Backbone interact. energy: 1.804
local terms energy: -53.383064
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.577
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: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -94.515307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.515307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.515307 (E_RNA)
where:
Base-Base interactions energy: -46.165
where: short stacking energy: -24.684
Base-Backbone interact. energy: -0.435
local terms energy: -47.915488
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -78.262454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.262454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.262454 (E_RNA)
where:
Base-Base interactions energy: -24.101
where: short stacking energy: -20.028
Base-Backbone interact. energy: 0.464
local terms energy: -54.625571
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -11.625
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: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -88.117730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.117730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.117730 (E_RNA)
where:
Base-Base interactions energy: -39.600
where: short stacking energy: -24.624
Base-Backbone interact. energy: -0.240
local terms energy: -48.277625
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -8.645
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: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -72.309954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.309954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.309954 (E_RNA)
where:
Base-Base interactions energy: -26.365
where: short stacking energy: -24.422
Base-Backbone interact. energy: -0.054
local terms energy: -45.890819
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -76.864537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.864537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.864537 (E_RNA)
where:
Base-Base interactions energy: -28.166
where: short stacking energy: -27.299
Base-Backbone interact. energy: -0.076
local terms energy: -48.622898
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -2.929
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -208.249511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.249511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.249511 (E_RNA)
where:
Base-Base interactions energy: -131.461
where: short stacking energy: -57.774
Base-Backbone interact. energy: -0.004
local terms energy: -76.783796
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -18.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -213.299028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.299028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.299028 (E_RNA)
where:
Base-Base interactions energy: -148.125
where: short stacking energy: -66.374
Base-Backbone interact. energy: -0.042
local terms energy: -65.131561
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -158.285015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.285015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.285015 (E_RNA)
where:
Base-Base interactions energy: -100.328
where: short stacking energy: -39.014
Base-Backbone interact. energy: -0.212
local terms energy: -57.744917
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -6.907
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: 4, replica: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -158.126443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.126443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.126443 (E_RNA)
where:
Base-Base interactions energy: -99.762
where: short stacking energy: -51.222
Base-Backbone interact. energy: -0.086
local terms energy: -58.277987
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -147.999690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.999690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.999690 (E_RNA)
where:
Base-Base interactions energy: -95.782
where: short stacking energy: -36.556
Base-Backbone interact. energy: 0.224
local terms energy: -52.442184
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -155.342075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.342075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.342075 (E_RNA)
where:
Base-Base interactions energy: -91.384
where: short stacking energy: -44.681
Base-Backbone interact. energy: -0.132
local terms energy: -63.826619
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -92.654713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.654713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.654713 (E_RNA)
where:
Base-Base interactions energy: -38.280
where: short stacking energy: -30.911
Base-Backbone interact. energy: -0.011
local terms energy: -54.364016
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -9.828
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: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -81.693939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.693939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.693939 (E_RNA)
where:
Base-Base interactions energy: -29.152
where: short stacking energy: -29.152
Base-Backbone interact. energy: -0.097
local terms energy: -52.445052
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: -10.140
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: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -80.220789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.220789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.220789 (E_RNA)
where:
Base-Base interactions energy: -28.794
where: short stacking energy: -28.794
Base-Backbone interact. energy: -1.189
local terms energy: -50.237988
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -66.717056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.717056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.717056 (E_RNA)
where:
Base-Base interactions energy: -29.386
where: short stacking energy: -24.862
Base-Backbone interact. energy: -0.195
local terms energy: -37.136104
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -5.160
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -212.364729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.364729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.364729 (E_RNA)
where:
Base-Base interactions energy: -139.571
where: short stacking energy: -65.881
Base-Backbone interact. energy: -0.000
local terms energy: -72.793651
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -21.975
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: 33
Temperature: 0.950000
Total energy: -188.360737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.360737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.360737 (E_RNA)
where:
Base-Base interactions energy: -122.458
where: short stacking energy: -56.494
Base-Backbone interact. energy: 0.903
local terms energy: -66.804965
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -167.746453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.746453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.746453 (E_RNA)
where:
Base-Base interactions energy: -106.983
where: short stacking energy: -42.638
Base-Backbone interact. energy: -0.197
local terms energy: -60.566741
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -177.168273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.168273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.168273 (E_RNA)
where:
Base-Base interactions energy: -114.752
where: short stacking energy: -48.031
Base-Backbone interact. energy: -0.006
local terms energy: -62.409540
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: -13.999
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: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -160.366864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.366864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.366864 (E_RNA)
where:
Base-Base interactions energy: -96.046
where: short stacking energy: -46.864
Base-Backbone interact. energy: -0.085
local terms energy: -64.236164
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -109.239893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.239893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.239893 (E_RNA)
where:
Base-Base interactions energy: -45.427
where: short stacking energy: -44.996
Base-Backbone interact. energy: -0.110
local terms energy: -63.703021
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -14.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -140.831192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.831192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.831192 (E_RNA)
where:
Base-Base interactions energy: -90.420
where: short stacking energy: -35.042
Base-Backbone interact. energy: -0.247
local terms energy: -50.163393
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -2.130
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -88.815454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.815454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.815454 (E_RNA)
where:
Base-Base interactions energy: -36.849
where: short stacking energy: -35.161
Base-Backbone interact. energy: -0.035
local terms energy: -51.931254
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -10.071
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -80.987101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.987101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.987101 (E_RNA)
where:
Base-Base interactions energy: -37.133
where: short stacking energy: -25.445
Base-Backbone interact. energy: -0.199
local terms energy: -43.655623
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -67.803863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.803863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.803863 (E_RNA)
where:
Base-Base interactions energy: -22.637
where: short stacking energy: -17.335
Base-Backbone interact. energy: -0.061
local terms energy: -45.105537
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -8.761
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -212.095001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.095001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.095001 (E_RNA)
where:
Base-Base interactions energy: -133.914
where: short stacking energy: -58.768
Base-Backbone interact. energy: -0.001
local terms energy: -78.180031
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -199.218102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.218102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.218102 (E_RNA)
where:
Base-Base interactions energy: -123.099
where: short stacking energy: -53.934
Base-Backbone interact. energy: 0.730
local terms energy: -76.849274
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -20.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -200.612450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.612450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.612450 (E_RNA)
where:
Base-Base interactions energy: -131.151
where: short stacking energy: -55.748
Base-Backbone interact. energy: -0.737
local terms energy: -68.724132
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -162.712909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.712909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.712909 (E_RNA)
where:
Base-Base interactions energy: -99.382
where: short stacking energy: -36.926
Base-Backbone interact. energy: -0.193
local terms energy: -63.138774
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -7.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -144.339574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.339574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.339574 (E_RNA)
where:
Base-Base interactions energy: -83.289
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.383
local terms energy: -60.667880
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -88.572457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.572457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.572457 (E_RNA)
where:
Base-Base interactions energy: -45.244
where: short stacking energy: -24.300
Base-Backbone interact. energy: -1.081
local terms energy: -42.246869
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -3.389
tors. eta vs tors. theta energy: -0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -126.152562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.152562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.152562 (E_RNA)
where:
Base-Base interactions energy: -69.236
where: short stacking energy: -33.444
Base-Backbone interact. energy: -0.018
local terms energy: -56.898667
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -76.919292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.919292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.919292 (E_RNA)
where:
Base-Base interactions energy: -35.278
where: short stacking energy: -31.121
Base-Backbone interact. energy: 0.052
local terms energy: -41.693348
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -8.678
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -71.923793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.923793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.923793 (E_RNA)
where:
Base-Base interactions energy: -20.768
where: short stacking energy: -20.292
Base-Backbone interact. energy: -0.269
local terms energy: -50.887337
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: 0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -73.444508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.444508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.444508 (E_RNA)
where:
Base-Base interactions energy: -22.363
where: short stacking energy: -20.247
Base-Backbone interact. energy: -0.074
local terms energy: -51.006903
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -9.650
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: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -206.359189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.359189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.359189 (E_RNA)
where:
Base-Base interactions energy: -137.638
where: short stacking energy: -66.487
Base-Backbone interact. energy: -0.532
local terms energy: -68.188641
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -182.998839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.998839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.998839 (E_RNA)
where:
Base-Base interactions energy: -116.053
where: short stacking energy: -47.242
Base-Backbone interact. energy: -0.483
local terms energy: -66.463357
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -198.166815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.166815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.166815 (E_RNA)
where:
Base-Base interactions energy: -130.266
where: short stacking energy: -50.463
Base-Backbone interact. energy: 1.065
local terms energy: -68.966054
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -162.079897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.079897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.079897 (E_RNA)
where:
Base-Base interactions energy: -103.494
where: short stacking energy: -48.952
Base-Backbone interact. energy: -0.356
local terms energy: -58.229788
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -151.940951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.940951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.940951 (E_RNA)
where:
Base-Base interactions energy: -93.017
where: short stacking energy: -41.071
Base-Backbone interact. energy: -0.265
local terms energy: -58.659159
where:
bonds (distance) C4'-P energy: -7.761
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -130.608139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.608139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.608139 (E_RNA)
where:
Base-Base interactions energy: -69.836
where: short stacking energy: -39.023
Base-Backbone interact. energy: -0.815
local terms energy: -59.957676
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -8.164
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: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -95.016871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.016871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.016871 (E_RNA)
where:
Base-Base interactions energy: -42.642
where: short stacking energy: -32.613
Base-Backbone interact. energy: -0.088
local terms energy: -52.286507
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -4.747
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: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -85.380423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.380423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.380423 (E_RNA)
where:
Base-Base interactions energy: -34.306
where: short stacking energy: -29.640
Base-Backbone interact. energy: 0.084
local terms energy: -51.158207
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -3.727
tors. eta vs tors. theta energy: -7.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -81.518595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.518595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.518595 (E_RNA)
where:
Base-Base interactions energy: -32.419
where: short stacking energy: -32.419
Base-Backbone interact. energy: -0.098
local terms energy: -49.002121
where:
bonds (distance) C4'-P energy: -6.184
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -66.646276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.646276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.646276 (E_RNA)
where:
Base-Base interactions energy: -24.420
where: short stacking energy: -24.420
Base-Backbone interact. energy: 1.415
local terms energy: -43.641294
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -6.270
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: 1, replica: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -185.793894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.793894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.793894 (E_RNA)
where:
Base-Base interactions energy: -117.553
where: short stacking energy: -55.422
Base-Backbone interact. energy: -0.004
local terms energy: -68.237409
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -201.453475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.453475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.453475 (E_RNA)
where:
Base-Base interactions energy: -130.942
where: short stacking energy: -54.718
Base-Backbone interact. energy: -0.001
local terms energy: -70.511296
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -180.431421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.431421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.431421 (E_RNA)
where:
Base-Base interactions energy: -113.895
where: short stacking energy: -51.097
Base-Backbone interact. energy: -0.058
local terms energy: -66.479029
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -10.488
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: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -175.195576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.195576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.195576 (E_RNA)
where:
Base-Base interactions energy: -117.312
where: short stacking energy: -53.885
Base-Backbone interact. energy: -0.638
local terms energy: -57.245326
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -12.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -132.598275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.598275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.598275 (E_RNA)
where:
Base-Base interactions energy: -80.354
where: short stacking energy: -27.212
Base-Backbone interact. energy: -0.442
local terms energy: -51.801960
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -2.545
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: 6, replica: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -152.061964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.061964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.061964 (E_RNA)
where:
Base-Base interactions energy: -86.634
where: short stacking energy: -42.325
Base-Backbone interact. energy: -0.152
local terms energy: -65.275536
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -87.008367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.008367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.008367 (E_RNA)
where:
Base-Base interactions energy: -36.489
where: short stacking energy: -29.595
Base-Backbone interact. energy: -0.169
local terms energy: -50.349629
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -8.380
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: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -78.041362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.041362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.041362 (E_RNA)
where:
Base-Base interactions energy: -29.383
where: short stacking energy: -25.366
Base-Backbone interact. energy: -0.054
local terms energy: -48.604925
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -76.364948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.364948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.364948 (E_RNA)
where:
Base-Base interactions energy: -31.750
where: short stacking energy: -30.637
Base-Backbone interact. energy: -0.257
local terms energy: -44.357349
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -5.130
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: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -77.491967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.491967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.491967 (E_RNA)
where:
Base-Base interactions energy: -24.737
where: short stacking energy: -22.172
Base-Backbone interact. energy: -0.235
local terms energy: -52.520515
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -186.110543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.110543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.110543 (E_RNA)
where:
Base-Base interactions energy: -123.025
where: short stacking energy: -58.125
Base-Backbone interact. energy: -0.710
local terms energy: -62.375099
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -15.177
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: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -199.941380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.941380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.941380 (E_RNA)
where:
Base-Base interactions energy: -132.773
where: short stacking energy: -53.844
Base-Backbone interact. energy: -0.100
local terms energy: -67.068284
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -179.148760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.148760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.148760 (E_RNA)
where:
Base-Base interactions energy: -111.492
where: short stacking energy: -37.741
Base-Backbone interact. energy: -0.281
local terms energy: -67.375028
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -14.640
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: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -157.818981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.818981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.818981 (E_RNA)
where:
Base-Base interactions energy: -98.686
where: short stacking energy: -37.743
Base-Backbone interact. energy: -0.620
local terms energy: -58.513245
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -6.435
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: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -159.718639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.718639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.718639 (E_RNA)
where:
Base-Base interactions energy: -92.215
where: short stacking energy: -38.790
Base-Backbone interact. energy: 1.988
local terms energy: -69.491884
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -13.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -138.471423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.471423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.471423 (E_RNA)
where:
Base-Base interactions energy: -78.822
where: short stacking energy: -44.335
Base-Backbone interact. energy: -0.405
local terms energy: -59.243938
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -9.947
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: 7, replica: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -84.389769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.389769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.389769 (E_RNA)
where:
Base-Base interactions energy: -31.644
where: short stacking energy: -27.914
Base-Backbone interact. energy: -0.110
local terms energy: -52.635610
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -79.557412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.557412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.557412 (E_RNA)
where:
Base-Base interactions energy: -28.294
where: short stacking energy: -15.286
Base-Backbone interact. energy: 1.472
local terms energy: -52.734496
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -8.856
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: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -81.491158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.491158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.491158 (E_RNA)
where:
Base-Base interactions energy: -26.547
where: short stacking energy: -26.547
Base-Backbone interact. energy: -0.202
local terms energy: -54.742172
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -3.518
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: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -72.816248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.816248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.816248 (E_RNA)
where:
Base-Base interactions energy: -23.130
where: short stacking energy: -15.219
Base-Backbone interact. energy: -0.259
local terms energy: -49.427272
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -10.373
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: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -212.480971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.480971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.480971 (E_RNA)
where:
Base-Base interactions energy: -139.415
where: short stacking energy: -58.887
Base-Backbone interact. energy: -0.291
local terms energy: -72.775591
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -179.458050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.458050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.458050 (E_RNA)
where:
Base-Base interactions energy: -114.144
where: short stacking energy: -55.822
Base-Backbone interact. energy: -0.036
local terms energy: -65.278141
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -177.468890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.468890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.468890 (E_RNA)
where:
Base-Base interactions energy: -109.337
where: short stacking energy: -50.697
Base-Backbone interact. energy: -1.057
local terms energy: -67.075557
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -162.847603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.847603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.847603 (E_RNA)
where:
Base-Base interactions energy: -102.992
where: short stacking energy: -38.808
Base-Backbone interact. energy: -0.539
local terms energy: -59.316509
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -142.709500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.709500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.709500 (E_RNA)
where:
Base-Base interactions energy: -77.259
where: short stacking energy: -41.538
Base-Backbone interact. energy: -1.299
local terms energy: -64.151133
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -142.827556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.827556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.827556 (E_RNA)
where:
Base-Base interactions energy: -89.243
where: short stacking energy: -40.706
Base-Backbone interact. energy: -0.177
local terms energy: -53.406893
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -9.499
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: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -89.881882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.881882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.881882 (E_RNA)
where:
Base-Base interactions energy: -42.548
where: short stacking energy: -29.566
Base-Backbone interact. energy: -0.047
local terms energy: -47.286256
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -78.170930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.170930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.170930 (E_RNA)
where:
Base-Base interactions energy: -26.865
where: short stacking energy: -26.634
Base-Backbone interact. energy: -0.036
local terms energy: -51.269663
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -7.039
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: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -76.338290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.338290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.338290 (E_RNA)
where:
Base-Base interactions energy: -39.005
where: short stacking energy: -36.889
Base-Backbone interact. energy: -0.114
local terms energy: -37.219625
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -4.942
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: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -70.552401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.552401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.552401 (E_RNA)
where:
Base-Base interactions energy: -24.514
where: short stacking energy: -24.514
Base-Backbone interact. energy: -0.161
local terms energy: -45.877807
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -4.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -201.682646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.682646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.682646 (E_RNA)
where:
Base-Base interactions energy: -135.099
where: short stacking energy: -59.424
Base-Backbone interact. energy: -0.035
local terms energy: -66.548170
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -3.832
tors. eta vs tors. theta energy: -16.898
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: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -173.517876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.517876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.517876 (E_RNA)
where:
Base-Base interactions energy: -112.246
where: short stacking energy: -56.093
Base-Backbone interact. energy: -0.009
local terms energy: -61.263291
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -13.428
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: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -177.262795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.262795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.262795 (E_RNA)
where:
Base-Base interactions energy: -110.720
where: short stacking energy: -49.799
Base-Backbone interact. energy: -0.108
local terms energy: -66.435621
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -174.406082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.406082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.406082 (E_RNA)
where:
Base-Base interactions energy: -113.262
where: short stacking energy: -36.905
Base-Backbone interact. energy: -0.301
local terms energy: -60.843182
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -7.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -146.813940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.813940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.813940 (E_RNA)
where:
Base-Base interactions energy: -86.517
where: short stacking energy: -46.053
Base-Backbone interact. energy: -0.892
local terms energy: -59.405205
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -7.205
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: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -151.856416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.856416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.856416 (E_RNA)
where:
Base-Base interactions energy: -103.110
where: short stacking energy: -30.625
Base-Backbone interact. energy: -0.581
local terms energy: -48.165734
where:
bonds (distance) C4'-P energy: -9.173
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -87.942520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.942520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.942520 (E_RNA)
where:
Base-Base interactions energy: -38.633
where: short stacking energy: -33.317
Base-Backbone interact. energy: -0.779
local terms energy: -48.531320
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -86.318036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.318036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.318036 (E_RNA)
where:
Base-Base interactions energy: -34.180
where: short stacking energy: -34.180
Base-Backbone interact. energy: -0.077
local terms energy: -52.061515
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -8.875
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: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -79.157312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.157312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.157312 (E_RNA)
where:
Base-Base interactions energy: -36.952
where: short stacking energy: -36.952
Base-Backbone interact. energy: 0.413
local terms energy: -42.618988
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -4.675
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: 39
Temperature: 1.350000
Total energy: -72.996676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.996676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.996676 (E_RNA)
where:
Base-Base interactions energy: -18.437
where: short stacking energy: -16.723
Base-Backbone interact. energy: -0.013
local terms energy: -54.547299
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -12.185
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: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -198.487167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.487167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.487167 (E_RNA)
where:
Base-Base interactions energy: -131.927
where: short stacking energy: -60.627
Base-Backbone interact. energy: -0.088
local terms energy: -66.471371
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -20.154
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: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -168.109591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.109591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.109591 (E_RNA)
where:
Base-Base interactions energy: -99.236
where: short stacking energy: -45.442
Base-Backbone interact. energy: -0.196
local terms energy: -68.677299
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -160.674454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.674454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.674454 (E_RNA)
where:
Base-Base interactions energy: -107.768
where: short stacking energy: -46.306
Base-Backbone interact. energy: -0.660
local terms energy: -52.245965
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -9.397
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: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -177.984402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.984402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.984402 (E_RNA)
where:
Base-Base interactions energy: -109.943
where: short stacking energy: -48.467
Base-Backbone interact. energy: -0.481
local terms energy: -67.560685
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -152.087206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.087206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.087206 (E_RNA)
where:
Base-Base interactions energy: -88.667
where: short stacking energy: -52.441
Base-Backbone interact. energy: 0.723
local terms energy: -64.142560
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -8.818
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -120.541924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.541924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.541924 (E_RNA)
where:
Base-Base interactions energy: -64.307
where: short stacking energy: -36.282
Base-Backbone interact. energy: 0.075
local terms energy: -56.310407
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -82.237688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.237688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.237688 (E_RNA)
where:
Base-Base interactions energy: -25.653
where: short stacking energy: -25.653
Base-Backbone interact. energy: 1.013
local terms energy: -57.598003
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -4.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -84.053177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.053177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.053177 (E_RNA)
where:
Base-Base interactions energy: -31.703
where: short stacking energy: -19.569
Base-Backbone interact. energy: -1.210
local terms energy: -51.140776
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -5.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -87.929334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.929334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.929334 (E_RNA)
where:
Base-Base interactions energy: -35.619
where: short stacking energy: -27.533
Base-Backbone interact. energy: -0.370
local terms energy: -51.940746
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -2.618
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -68.848700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.848700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.848700 (E_RNA)
where:
Base-Base interactions energy: -17.727
where: short stacking energy: -10.435
Base-Backbone interact. energy: -0.994
local terms energy: -50.127328
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -10.910
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: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -206.835956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.835956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.835956 (E_RNA)
where:
Base-Base interactions energy: -135.227
where: short stacking energy: -58.630
Base-Backbone interact. energy: -0.103
local terms energy: -71.506498
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -175.676130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.676130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.676130 (E_RNA)
where:
Base-Base interactions energy: -109.182
where: short stacking energy: -49.668
Base-Backbone interact. energy: -0.100
local terms energy: -66.394333
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -16.709
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: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -161.104789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.104789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.104789 (E_RNA)
where:
Base-Base interactions energy: -110.241
where: short stacking energy: -45.772
Base-Backbone interact. energy: 1.911
local terms energy: -52.775505
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -171.866454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.866454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.866454 (E_RNA)
where:
Base-Base interactions energy: -106.147
where: short stacking energy: -51.346
Base-Backbone interact. energy: -0.550
local terms energy: -65.169094
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -154.502840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.502840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.502840 (E_RNA)
where:
Base-Base interactions energy: -90.745
where: short stacking energy: -54.075
Base-Backbone interact. energy: -0.038
local terms energy: -63.719509
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -116.595165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.595165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.595165 (E_RNA)
where:
Base-Base interactions energy: -69.572
where: short stacking energy: -40.105
Base-Backbone interact. energy: 0.024
local terms energy: -47.047125
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -1.821
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -75.423096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.423096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.423096 (E_RNA)
where:
Base-Base interactions energy: -33.235
where: short stacking energy: -26.382
Base-Backbone interact. energy: -0.193
local terms energy: -41.995002
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -8.084
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -98.322129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.322129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.322129 (E_RNA)
where:
Base-Base interactions energy: -62.688
where: short stacking energy: -14.049
Base-Backbone interact. energy: -0.032
local terms energy: -35.602478
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -2.059
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: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -73.915613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.915613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.915613 (E_RNA)
where:
Base-Base interactions energy: -34.009
where: short stacking energy: -31.815
Base-Backbone interact. energy: 2.820
local terms energy: -42.726120
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -1.154
tors. eta vs tors. theta energy: -1.942
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: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -74.206782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.206782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.206782 (E_RNA)
where:
Base-Base interactions energy: -26.447
where: short stacking energy: -25.703
Base-Backbone interact. energy: -0.174
local terms energy: -47.586365
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -207.139535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.139535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.139535 (E_RNA)
where:
Base-Base interactions energy: -138.227
where: short stacking energy: -67.349
Base-Backbone interact. energy: -0.497
local terms energy: -68.415327
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -165.638127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.638127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.638127 (E_RNA)
where:
Base-Base interactions energy: -102.951
where: short stacking energy: -48.219
Base-Backbone interact. energy: -0.244
local terms energy: -62.443639
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -167.615077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.615077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.615077 (E_RNA)
where:
Base-Base interactions energy: -105.125
where: short stacking energy: -48.295
Base-Backbone interact. energy: -0.178
local terms energy: -62.311988
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -161.300301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.300301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.300301 (E_RNA)
where:
Base-Base interactions energy: -99.264
where: short stacking energy: -31.124
Base-Backbone interact. energy: -1.497
local terms energy: -60.539610
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -8.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -146.211675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.211675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.211675 (E_RNA)
where:
Base-Base interactions energy: -79.274
where: short stacking energy: -43.166
Base-Backbone interact. energy: -0.812
local terms energy: -66.125881
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -10.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -111.986950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.986950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.986950 (E_RNA)
where:
Base-Base interactions energy: -59.540
where: short stacking energy: -33.087
Base-Backbone interact. energy: -0.021
local terms energy: -52.426149
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: -8.991
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: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -90.951313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.951313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.951313 (E_RNA)
where:
Base-Base interactions energy: -38.398
where: short stacking energy: -24.924
Base-Backbone interact. energy: -0.424
local terms energy: -52.129108
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -10.693
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: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -74.125218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.125218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.125218 (E_RNA)
where:
Base-Base interactions energy: -33.249
where: short stacking energy: -29.951
Base-Backbone interact. energy: -0.204
local terms energy: -40.672546
where:
bonds (distance) C4'-P energy: -5.071
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -2.857
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: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -76.811097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.811097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.811097 (E_RNA)
where:
Base-Base interactions energy: -30.801
where: short stacking energy: -25.614
Base-Backbone interact. energy: -0.150
local terms energy: -45.860406
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -6.134
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -72.578777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.578777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.578777 (E_RNA)
where:
Base-Base interactions energy: -24.159
where: short stacking energy: -24.259
Base-Backbone interact. energy: -0.207
local terms energy: -48.212702
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -6.714
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: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -201.673631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.673631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.673631 (E_RNA)
where:
Base-Base interactions energy: -138.094
where: short stacking energy: -60.082
Base-Backbone interact. energy: -0.198
local terms energy: -63.380923
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -193.248689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.248689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.248689 (E_RNA)
where:
Base-Base interactions energy: -121.062
where: short stacking energy: -53.581
Base-Backbone interact. energy: -0.127
local terms energy: -72.059141
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -169.027961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.027961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.027961 (E_RNA)
where:
Base-Base interactions energy: -103.150
where: short stacking energy: -46.773
Base-Backbone interact. energy: -0.145
local terms energy: -65.733883
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -152.427443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.427443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.427443 (E_RNA)
where:
Base-Base interactions energy: -86.241
where: short stacking energy: -50.835
Base-Backbone interact. energy: -0.086
local terms energy: -66.100429
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -11.163
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: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -155.985943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.985943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.985943 (E_RNA)
where:
Base-Base interactions energy: -100.785
where: short stacking energy: -46.272
Base-Backbone interact. energy: -1.284
local terms energy: -53.916280
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -113.507357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.507357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.507357 (E_RNA)
where:
Base-Base interactions energy: -66.915
where: short stacking energy: -40.360
Base-Backbone interact. energy: 0.292
local terms energy: -46.884794
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -91.112067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.112067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.112067 (E_RNA)
where:
Base-Base interactions energy: -41.959
where: short stacking energy: -33.224
Base-Backbone interact. energy: -0.479
local terms energy: -48.674005
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -4.780
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: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -82.935103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.935103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.935103 (E_RNA)
where:
Base-Base interactions energy: -29.155
where: short stacking energy: -27.438
Base-Backbone interact. energy: -0.316
local terms energy: -53.463533
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -5.825
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -73.001231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.001231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.001231 (E_RNA)
where:
Base-Base interactions energy: -25.920
where: short stacking energy: -23.107
Base-Backbone interact. energy: 0.252
local terms energy: -47.333437
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -7.472
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: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -75.435106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.435106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.435106 (E_RNA)
where:
Base-Base interactions energy: -25.763
where: short stacking energy: -17.318
Base-Backbone interact. energy: -0.151
local terms energy: -49.521411
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -4.552
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: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -200.760756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.760756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.760756 (E_RNA)
where:
Base-Base interactions energy: -133.921
where: short stacking energy: -59.254
Base-Backbone interact. energy: -0.381
local terms energy: -66.458914
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -204.075561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.075561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.075561 (E_RNA)
where:
Base-Base interactions energy: -139.890
where: short stacking energy: -59.842
Base-Backbone interact. energy: 0.805
local terms energy: -64.990464
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -152.766342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.766342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.766342 (E_RNA)
where:
Base-Base interactions energy: -88.578
where: short stacking energy: -52.611
Base-Backbone interact. energy: -0.314
local terms energy: -63.874468
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -9.970
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: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -156.813847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.813847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.813847 (E_RNA)
where:
Base-Base interactions energy: -94.664
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.040
local terms energy: -62.109724
where:
bonds (distance) C4'-P energy: -7.832
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -143.865658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.865658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.865658 (E_RNA)
where:
Base-Base interactions energy: -89.226
where: short stacking energy: -38.031
Base-Backbone interact. energy: 0.038
local terms energy: -54.677060
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.449
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: 44
Temperature: 1.150000
Total energy: -101.237315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.237315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.237315 (E_RNA)
where:
Base-Base interactions energy: -45.387
where: short stacking energy: -45.387
Base-Backbone interact. energy: -0.000
local terms energy: -55.849721
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -84.898628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.898628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.898628 (E_RNA)
where:
Base-Base interactions energy: -34.085
where: short stacking energy: -34.085
Base-Backbone interact. energy: -0.463
local terms energy: -50.350893
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -2.212
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -85.831573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.831573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.831573 (E_RNA)
where:
Base-Base interactions energy: -32.225
where: short stacking energy: -21.278
Base-Backbone interact. energy: -0.841
local terms energy: -52.766004
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: 2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -75.205425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.205425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.205425 (E_RNA)
where:
Base-Base interactions energy: -25.743
where: short stacking energy: -24.465
Base-Backbone interact. energy: -0.490
local terms energy: -48.972277
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -4.197
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: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -68.567938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.567938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.567938 (E_RNA)
where:
Base-Base interactions energy: -29.803
where: short stacking energy: -25.288
Base-Backbone interact. energy: -0.302
local terms energy: -38.463006
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -5.526
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -206.554194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.554194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.554194 (E_RNA)
where:
Base-Base interactions energy: -138.790
where: short stacking energy: -54.410
Base-Backbone interact. energy: -0.010
local terms energy: -67.754234
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -207.224455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.224455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.224455 (E_RNA)
where:
Base-Base interactions energy: -137.650
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.016
local terms energy: -69.559232
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -15.337
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: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -164.688801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.688801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.688801 (E_RNA)
where:
Base-Base interactions energy: -91.645
where: short stacking energy: -55.310
Base-Backbone interact. energy: -0.064
local terms energy: -72.979932
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -168.159350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.159350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.159350 (E_RNA)
where:
Base-Base interactions energy: -109.152
where: short stacking energy: -50.675
Base-Backbone interact. energy: 1.118
local terms energy: -60.126085
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -158.917316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.917316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.917316 (E_RNA)
where:
Base-Base interactions energy: -95.845
where: short stacking energy: -43.201
Base-Backbone interact. energy: -0.306
local terms energy: -62.765883
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -93.448118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.448118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.448118 (E_RNA)
where:
Base-Base interactions energy: -48.578
where: short stacking energy: -21.901
Base-Backbone interact. energy: -0.308
local terms energy: -44.561890
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -9.576
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: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -81.579649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.579649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.579649 (E_RNA)
where:
Base-Base interactions energy: -32.318
where: short stacking energy: -27.195
Base-Backbone interact. energy: -0.379
local terms energy: -48.882031
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -3.479
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: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -77.875625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.875625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.875625 (E_RNA)
where:
Base-Base interactions energy: -23.883
where: short stacking energy: -21.699
Base-Backbone interact. energy: -0.599
local terms energy: -53.393320
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -10.732
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: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -79.034666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.034666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.034666 (E_RNA)
where:
Base-Base interactions energy: -24.789
where: short stacking energy: -22.075
Base-Backbone interact. energy: 0.117
local terms energy: -54.363229
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -74.287725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.287725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.287725 (E_RNA)
where:
Base-Base interactions energy: -25.395
where: short stacking energy: -18.845
Base-Backbone interact. energy: -0.680
local terms energy: -48.213088
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -7.697
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: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -209.325383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.325383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.325383 (E_RNA)
where:
Base-Base interactions energy: -136.843
where: short stacking energy: -61.393
Base-Backbone interact. energy: -0.126
local terms energy: -72.356573
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -208.830524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.830524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.830524 (E_RNA)
where:
Base-Base interactions energy: -137.691
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.062
local terms energy: -71.077647
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -169.038647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.038647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.038647 (E_RNA)
where:
Base-Base interactions energy: -106.392
where: short stacking energy: -44.644
Base-Backbone interact. energy: -0.006
local terms energy: -62.640472
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -14.645
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: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -156.653212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.653212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.653212 (E_RNA)
where:
Base-Base interactions energy: -98.202
where: short stacking energy: -49.135
Base-Backbone interact. energy: -0.778
local terms energy: -57.673144
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -11.049
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: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -156.500876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.500876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.500876 (E_RNA)
where:
Base-Base interactions energy: -91.339
where: short stacking energy: -49.258
Base-Backbone interact. energy: -0.015
local terms energy: -65.147109
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -12.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -88.644805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.644805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.644805 (E_RNA)
where:
Base-Base interactions energy: -34.445
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.760
local terms energy: -53.439734
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -6.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -86.670182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.670182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.670182 (E_RNA)
where:
Base-Base interactions energy: -33.276
where: short stacking energy: -33.276
Base-Backbone interact. energy: -0.004
local terms energy: -53.389658
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -8.071
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: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -95.993834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.993834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.993834 (E_RNA)
where:
Base-Base interactions energy: -34.106
where: short stacking energy: -33.434
Base-Backbone interact. energy: -0.230
local terms energy: -61.657817
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -11.717
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: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -73.956176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.956176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.956176 (E_RNA)
where:
Base-Base interactions energy: -32.414
where: short stacking energy: -22.547
Base-Backbone interact. energy: -0.357
local terms energy: -41.184826
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: 2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -72.287059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.287059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.287059 (E_RNA)
where:
Base-Base interactions energy: -32.635
where: short stacking energy: -32.635
Base-Backbone interact. energy: -0.120
local terms energy: -39.531948
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -8.863
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: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -209.138846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.138846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.138846 (E_RNA)
where:
Base-Base interactions energy: -136.374
where: short stacking energy: -51.608
Base-Backbone interact. energy: -0.146
local terms energy: -72.618671
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -210.293536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.293536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.293536 (E_RNA)
where:
Base-Base interactions energy: -143.787
where: short stacking energy: -66.152
Base-Backbone interact. energy: -0.012
local terms energy: -66.494175
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -167.422358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.422358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.422358 (E_RNA)
where:
Base-Base interactions energy: -109.576
where: short stacking energy: -53.225
Base-Backbone interact. energy: -0.125
local terms energy: -57.721342
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -2.291
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -140.086285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.086285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.086285 (E_RNA)
where:
Base-Base interactions energy: -82.518
where: short stacking energy: -42.933
Base-Backbone interact. energy: 0.084
local terms energy: -57.652687
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -9.605
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: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -157.242900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.242900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.242900 (E_RNA)
where:
Base-Base interactions energy: -91.930
where: short stacking energy: -55.560
Base-Backbone interact. energy: -0.253
local terms energy: -65.060088
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -15.073
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: 47
Temperature: 1.150000
Total energy: -107.513179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.513179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.513179 (E_RNA)
where:
Base-Base interactions energy: -46.941
where: short stacking energy: -37.343
Base-Backbone interact. energy: -0.101
local terms energy: -60.471585
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -9.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -82.974928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.974928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.974928 (E_RNA)
where:
Base-Base interactions energy: -31.263
where: short stacking energy: -28.249
Base-Backbone interact. energy: -0.348
local terms energy: -51.363806
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -11.259
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: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -78.215706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.215706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.215706 (E_RNA)
where:
Base-Base interactions energy: -29.986
where: short stacking energy: -29.986
Base-Backbone interact. energy: 0.008
local terms energy: -48.238009
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -11.128
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: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -76.744883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.744883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.744883 (E_RNA)
where:
Base-Base interactions energy: -29.452
where: short stacking energy: -29.452
Base-Backbone interact. energy: -0.045
local terms energy: -47.247847
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -6.248
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: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -76.680089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.680089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.680089 (E_RNA)
where:
Base-Base interactions energy: -34.542
where: short stacking energy: -34.542
Base-Backbone interact. energy: 0.019
local terms energy: -42.156636
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -7.888
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: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -199.461292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.461292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.461292 (E_RNA)
where:
Base-Base interactions energy: -130.496
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.007
local terms energy: -68.957966
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -17.952
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: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -196.276772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.276772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.276772 (E_RNA)
where:
Base-Base interactions energy: -127.752
where: short stacking energy: -56.615
Base-Backbone interact. energy: -0.359
local terms energy: -68.165698
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -155.624111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.624111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.624111 (E_RNA)
where:
Base-Base interactions energy: -99.083
where: short stacking energy: -49.264
Base-Backbone interact. energy: -0.002
local terms energy: -56.538422
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -10.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -148.555063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.555063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.555063 (E_RNA)
where:
Base-Base interactions energy: -80.915
where: short stacking energy: -42.907
Base-Backbone interact. energy: -0.158
local terms energy: -67.481771
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -154.398270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.398270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.398270 (E_RNA)
where:
Base-Base interactions energy: -87.814
where: short stacking energy: -49.611
Base-Backbone interact. energy: -0.021
local terms energy: -66.563157
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -11.730
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: 48
Temperature: 1.150000
Total energy: -91.246276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.246276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.246276 (E_RNA)
where:
Base-Base interactions energy: -38.122
where: short stacking energy: -36.234
Base-Backbone interact. energy: -0.127
local terms energy: -52.998072
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -7.307
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: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -86.273441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.273441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.273441 (E_RNA)
where:
Base-Base interactions energy: -32.521
where: short stacking energy: -32.521
Base-Backbone interact. energy: 0.598
local terms energy: -54.350271
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -5.565
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: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -77.632917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.632917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.632917 (E_RNA)
where:
Base-Base interactions energy: -30.279
where: short stacking energy: -26.050
Base-Backbone interact. energy: -0.391
local terms energy: -46.962765
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -72.457884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.457884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.457884 (E_RNA)
where:
Base-Base interactions energy: -28.197
where: short stacking energy: -26.677
Base-Backbone interact. energy: -0.108
local terms energy: -44.153403
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -7.634
flat angles P-C4'-P energy: -5.449
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: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -74.825035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.825035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.825035 (E_RNA)
where:
Base-Base interactions energy: -21.999
where: short stacking energy: -16.700
Base-Backbone interact. energy: -0.141
local terms energy: -52.685278
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -8.795
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: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -201.774373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.774373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.774373 (E_RNA)
where:
Base-Base interactions energy: -131.367
where: short stacking energy: -63.442
Base-Backbone interact. energy: -0.036
local terms energy: -70.372184
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -16.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -205.758733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.758733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.758733 (E_RNA)
where:
Base-Base interactions energy: -135.931
where: short stacking energy: -56.374
Base-Backbone interact. energy: -0.603
local terms energy: -69.225056
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -16.587
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: 10
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -166.287004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.287004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.287004 (E_RNA)
where:
Base-Base interactions energy: -94.907
where: short stacking energy: -48.586
Base-Backbone interact. energy: -0.771
local terms energy: -70.608895
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -159.659587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.659587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.659587 (E_RNA)
where:
Base-Base interactions energy: -93.187
where: short stacking energy: -51.852
Base-Backbone interact. energy: 0.096
local terms energy: -66.568562
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -13.797
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: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -161.587236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.587236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.587236 (E_RNA)
where:
Base-Base interactions energy: -97.121
where: short stacking energy: -40.993
Base-Backbone interact. energy: -0.337
local terms energy: -64.129229
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -9.755
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: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -90.889120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.889120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.889120 (E_RNA)
where:
Base-Base interactions energy: -38.718
where: short stacking energy: -29.917
Base-Backbone interact. energy: -0.199
local terms energy: -51.972360
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -9.100
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: 7, replica: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -96.614716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.614716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.614716 (E_RNA)
where:
Base-Base interactions energy: -40.325
where: short stacking energy: -40.325
Base-Backbone interact. energy: -0.018
local terms energy: -56.272038
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -75.494822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.494822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.494822 (E_RNA)
where:
Base-Base interactions energy: -24.446
where: short stacking energy: -24.446
Base-Backbone interact. energy: -0.128
local terms energy: -50.920750
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -7.057
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: 49
Temperature: 1.300000
Total energy: -66.581471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.581471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.581471 (E_RNA)
where:
Base-Base interactions energy: -19.474
where: short stacking energy: -19.299
Base-Backbone interact. energy: -0.572
local terms energy: -46.535582
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -1.366
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: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -75.078084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.078084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.078084 (E_RNA)
where:
Base-Base interactions energy: -32.793
where: short stacking energy: -17.263
Base-Backbone interact. energy: -0.583
local terms energy: -41.702677
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -5.891
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -206.896879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.896879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.896879 (E_RNA)
where:
Base-Base interactions energy: -143.889
where: short stacking energy: -53.758
Base-Backbone interact. energy: -0.063
local terms energy: -62.944932
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -14.607
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: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -207.627831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.627831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.627831 (E_RNA)
where:
Base-Base interactions energy: -137.881
where: short stacking energy: -59.008
Base-Backbone interact. energy: -0.113
local terms energy: -69.633253
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -20.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -141.538046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.538046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.538046 (E_RNA)
where:
Base-Base interactions energy: -81.399
where: short stacking energy: -43.368
Base-Backbone interact. energy: -0.536
local terms energy: -59.603118
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -157.078043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.078043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.078043 (E_RNA)
where:
Base-Base interactions energy: -90.113
where: short stacking energy: -47.731
Base-Backbone interact. energy: -0.118
local terms energy: -66.846961
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -156.819722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.819722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.819722 (E_RNA)
where:
Base-Base interactions energy: -99.870
where: short stacking energy: -46.570
Base-Backbone interact. energy: -0.117
local terms energy: -56.832889
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -93.049127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.049127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.049127 (E_RNA)
where:
Base-Base interactions energy: -40.138
where: short stacking energy: -40.138
Base-Backbone interact. energy: -0.136
local terms energy: -52.774613
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -7.462
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: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -85.465303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.465303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.465303 (E_RNA)
where:
Base-Base interactions energy: -28.406
where: short stacking energy: -17.478
Base-Backbone interact. energy: -0.139
local terms energy: -56.919598
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -10.149
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: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -74.491628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.491628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.491628 (E_RNA)
where:
Base-Base interactions energy: -25.798
where: short stacking energy: -16.646
Base-Backbone interact. energy: 1.187
local terms energy: -49.880540
where:
bonds (distance) C4'-P energy: -7.183
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -11.085
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: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -88.675333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.675333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.675333 (E_RNA)
where:
Base-Base interactions energy: -43.813
where: short stacking energy: -19.545
Base-Backbone interact. energy: -0.024
local terms energy: -44.838150
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -8.978
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: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -77.574946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.574946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.574946 (E_RNA)
where:
Base-Base interactions energy: -20.175
where: short stacking energy: -20.175
Base-Backbone interact. energy: -0.852
local terms energy: -56.547257
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -8.585
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: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -208.435106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.435106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.435106 (E_RNA)
where:
Base-Base interactions energy: -141.247
where: short stacking energy: -55.172
Base-Backbone interact. energy: -0.017
local terms energy: -67.171342
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -202.710693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.710693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.710693 (E_RNA)
where:
Base-Base interactions energy: -131.653
where: short stacking energy: -55.081
Base-Backbone interact. energy: 0.054
local terms energy: -71.112017
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -154.286125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.286125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.286125 (E_RNA)
where:
Base-Base interactions energy: -97.817
where: short stacking energy: -54.985
Base-Backbone interact. energy: -0.079
local terms energy: -56.390287
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -9.348
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -161.350822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.350822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.350822 (E_RNA)
where:
Base-Base interactions energy: -89.406
where: short stacking energy: -38.973
Base-Backbone interact. energy: -1.164
local terms energy: -70.780964
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -159.077023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.077023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.077023 (E_RNA)
where:
Base-Base interactions energy: -93.784
where: short stacking energy: -40.496
Base-Backbone interact. energy: -0.109
local terms energy: -65.183325
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -111.379173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.379173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.379173 (E_RNA)
where:
Base-Base interactions energy: -64.117
where: short stacking energy: -28.049
Base-Backbone interact. energy: -0.255
local terms energy: -47.007356
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -7.273
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: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -102.897945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.897945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.897945 (E_RNA)
where:
Base-Base interactions energy: -44.720
where: short stacking energy: -37.741
Base-Backbone interact. energy: -0.020
local terms energy: -58.157758
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -8.879
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: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -74.493470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.493470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.493470 (E_RNA)
where:
Base-Base interactions energy: -30.993
where: short stacking energy: -26.402
Base-Backbone interact. energy: -0.325
local terms energy: -43.175770
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: 5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -76.949971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.949971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.949971 (E_RNA)
where:
Base-Base interactions energy: -20.299
where: short stacking energy: -18.713
Base-Backbone interact. energy: -0.063
local terms energy: -56.588142
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -9.518
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: 51
Temperature: 1.350000
Total energy: -73.843844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.843844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.843844 (E_RNA)
where:
Base-Base interactions energy: -32.050
where: short stacking energy: -32.050
Base-Backbone interact. energy: -0.158
local terms energy: -41.636477
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -7.665
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: -2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -206.201567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.201567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.201567 (E_RNA)
where:
Base-Base interactions energy: -139.358
where: short stacking energy: -55.163
Base-Backbone interact. energy: -0.004
local terms energy: -66.839984
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -15.041
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: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -205.313116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.313116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.313116 (E_RNA)
where:
Base-Base interactions energy: -133.612
where: short stacking energy: -56.633
Base-Backbone interact. energy: -0.012
local terms energy: -71.689153
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -191.920070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.920070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.920070 (E_RNA)
where:
Base-Base interactions energy: -128.964
where: short stacking energy: -63.399
Base-Backbone interact. energy: 1.170
local terms energy: -64.126159
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -161.408768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.408768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.408768 (E_RNA)
where:
Base-Base interactions energy: -91.525
where: short stacking energy: -59.548
Base-Backbone interact. energy: -0.988
local terms energy: -68.895600
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -10.481
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -15.745
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: 5, replica: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -155.645650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.645650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.645650 (E_RNA)
where:
Base-Base interactions energy: -104.296
where: short stacking energy: -42.013
Base-Backbone interact. energy: 0.079
local terms energy: -51.428442
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -5.283
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: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -86.952061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.952061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.952061 (E_RNA)
where:
Base-Base interactions energy: -41.770
where: short stacking energy: -29.548
Base-Backbone interact. energy: -0.258
local terms energy: -44.923386
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -7.183
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: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -92.750819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.750819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.750819 (E_RNA)
where:
Base-Base interactions energy: -32.709
where: short stacking energy: -26.294
Base-Backbone interact. energy: -0.122
local terms energy: -59.919800
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -9.433
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: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -82.563195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.563195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.563195 (E_RNA)
where:
Base-Base interactions energy: -36.153
where: short stacking energy: -31.690
Base-Backbone interact. energy: -0.120
local terms energy: -46.290915
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -75.945957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.945957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.945957 (E_RNA)
where:
Base-Base interactions energy: -32.501
where: short stacking energy: -21.507
Base-Backbone interact. energy: 0.668
local terms energy: -44.113167
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -9.344
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -9.031
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: 2
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -69.442312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.442312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.442312 (E_RNA)
where:
Base-Base interactions energy: -24.014
where: short stacking energy: -20.695
Base-Backbone interact. energy: 1.862
local terms energy: -47.291101
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -0.174
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: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -202.426346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.426346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.426346 (E_RNA)
where:
Base-Base interactions energy: -134.932
where: short stacking energy: -59.160
Base-Backbone interact. energy: -0.920
local terms energy: -66.574363
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -201.276588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.276588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.276588 (E_RNA)
where:
Base-Base interactions energy: -134.264
where: short stacking energy: -54.948
Base-Backbone interact. energy: -0.134
local terms energy: -66.878628
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -18.820
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: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -195.320186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.320186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.320186 (E_RNA)
where:
Base-Base interactions energy: -115.658
where: short stacking energy: -53.723
Base-Backbone interact. energy: -1.706
local terms energy: -77.955566
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -168.604073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.604073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.604073 (E_RNA)
where:
Base-Base interactions energy: -103.983
where: short stacking energy: -45.170
Base-Backbone interact. energy: -0.211
local terms energy: -64.410014
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -161.874937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.874937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.874937 (E_RNA)
where:
Base-Base interactions energy: -101.569
where: short stacking energy: -46.073
Base-Backbone interact. energy: -0.178
local terms energy: -60.127533
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -11.100
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: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -95.447173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.447173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.447173 (E_RNA)
where:
Base-Base interactions energy: -45.776
where: short stacking energy: -45.776
Base-Backbone interact. energy: -0.003
local terms energy: -49.667900
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -6.228
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: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -91.091858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.091858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.091858 (E_RNA)
where:
Base-Base interactions energy: -37.118
where: short stacking energy: -34.655
Base-Backbone interact. energy: -0.597
local terms energy: -53.376484
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -8.890
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: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -74.709262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.709262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.709262 (E_RNA)
where:
Base-Base interactions energy: -23.721
where: short stacking energy: -23.721
Base-Backbone interact. energy: -0.130
local terms energy: -50.857785
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -79.603626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.603626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.603626 (E_RNA)
where:
Base-Base interactions energy: -27.181
where: short stacking energy: -27.181
Base-Backbone interact. energy: -0.071
local terms energy: -52.351858
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -7.478
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: 10, replica: 2
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -72.111429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.111429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.111429 (E_RNA)
where:
Base-Base interactions energy: -25.648
where: short stacking energy: -22.865
Base-Backbone interact. energy: -1.443
local terms energy: -45.021042
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -7.873
flat angles P-C4'-P energy: -6.037
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: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -208.416555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.416555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.416555 (E_RNA)
where:
Base-Base interactions energy: -133.602
where: short stacking energy: -60.784
Base-Backbone interact. energy: -0.001
local terms energy: -74.812907
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -202.414684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.414684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.414684 (E_RNA)
where:
Base-Base interactions energy: -134.761
where: short stacking energy: -54.256
Base-Backbone interact. energy: -0.221
local terms energy: -67.432722
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -196.874485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.874485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.874485 (E_RNA)
where:
Base-Base interactions energy: -127.252
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.003
local terms energy: -69.619486
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -156.421005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.421005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.421005 (E_RNA)
where:
Base-Base interactions energy: -95.895
where: short stacking energy: -37.347
Base-Backbone interact. energy: 2.991
local terms energy: -63.516797
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -135.102747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.102747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.102747 (E_RNA)
where:
Base-Base interactions energy: -86.404
where: short stacking energy: -32.316
Base-Backbone interact. energy: 0.585
local terms energy: -49.283250
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -1.736
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: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -97.151720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.151720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.151720 (E_RNA)
where:
Base-Base interactions energy: -40.013
where: short stacking energy: -39.132
Base-Backbone interact. energy: -0.056
local terms energy: -57.083281
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -95.996339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.996339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.996339 (E_RNA)
where:
Base-Base interactions energy: -38.429
where: short stacking energy: -38.429
Base-Backbone interact. energy: -0.055
local terms energy: -57.512045
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -86.528383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.528383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.528383 (E_RNA)
where:
Base-Base interactions energy: -45.759
where: short stacking energy: -34.757
Base-Backbone interact. energy: 2.342
local terms energy: -43.111747
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -5.976
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: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -76.023078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.023078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.023078 (E_RNA)
where:
Base-Base interactions energy: -27.207
where: short stacking energy: -26.532
Base-Backbone interact. energy: 0.036
local terms energy: -48.852203
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -8.073
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: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -67.102051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.102051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.102051 (E_RNA)
where:
Base-Base interactions energy: -21.685
where: short stacking energy: -21.685
Base-Backbone interact. energy: -0.105
local terms energy: -45.312410
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -5.617
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: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -213.647337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.647337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.647337 (E_RNA)
where:
Base-Base interactions energy: -139.399
where: short stacking energy: -65.654
Base-Backbone interact. energy: -0.002
local terms energy: -74.246302
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -205.594931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.594931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.594931 (E_RNA)
where:
Base-Base interactions energy: -141.805
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.005
local terms energy: -63.785061
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -2.749
tors. eta vs tors. theta energy: -13.974
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: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -186.952731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.952731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.952731 (E_RNA)
where:
Base-Base interactions energy: -118.065
where: short stacking energy: -48.983
Base-Backbone interact. energy: -0.006
local terms energy: -68.881664
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -169.452615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.452615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.452615 (E_RNA)
where:
Base-Base interactions energy: -103.244
where: short stacking energy: -44.996
Base-Backbone interact. energy: 0.108
local terms energy: -66.316628
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -155.347283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.347283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.347283 (E_RNA)
where:
Base-Base interactions energy: -92.498
where: short stacking energy: -49.172
Base-Backbone interact. energy: 1.195
local terms energy: -64.044365
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -10.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -126.844452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.844452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.844452 (E_RNA)
where:
Base-Base interactions energy: -81.960
where: short stacking energy: -44.368
Base-Backbone interact. energy: 0.274
local terms energy: -45.158665
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -2.623
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -90.214625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.214625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.214625 (E_RNA)
where:
Base-Base interactions energy: -29.858
where: short stacking energy: -29.958
Base-Backbone interact. energy: -0.541
local terms energy: -59.815366
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -8.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -90.465282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.465282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.465282 (E_RNA)
where:
Base-Base interactions energy: -37.275
where: short stacking energy: -37.275
Base-Backbone interact. energy: 0.629
local terms energy: -53.819077
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -5.181
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: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -72.516505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.516505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.516505 (E_RNA)
where:
Base-Base interactions energy: -17.761
where: short stacking energy: -8.756
Base-Backbone interact. energy: -1.342
local terms energy: -53.413468
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -8.424
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: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -67.686217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.686217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.686217 (E_RNA)
where:
Base-Base interactions energy: -37.057
where: short stacking energy: -20.522
Base-Backbone interact. energy: -0.097
local terms energy: -30.531791
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -7.024
flat angles C4'-P-C4' energy: -7.000
flat angles P-C4'-P energy: -7.067
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: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -199.371415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.371415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.371415 (E_RNA)
where:
Base-Base interactions energy: -130.709
where: short stacking energy: -51.581
Base-Backbone interact. energy: -0.523
local terms energy: -68.138986
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -201.012184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.012184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.012184 (E_RNA)
where:
Base-Base interactions energy: -133.750
where: short stacking energy: -57.225
Base-Backbone interact. energy: -0.001
local terms energy: -67.261396
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -16.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -195.607575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.607575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.607575 (E_RNA)
where:
Base-Base interactions energy: -134.145
where: short stacking energy: -57.350
Base-Backbone interact. energy: -0.001
local terms energy: -61.461410
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -4.465
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -161.512200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.512200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.512200 (E_RNA)
where:
Base-Base interactions energy: -97.774
where: short stacking energy: -46.111
Base-Backbone interact. energy: 1.044
local terms energy: -64.782161
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -12.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -145.334481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.334481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.334481 (E_RNA)
where:
Base-Base interactions energy: -92.570
where: short stacking energy: -53.840
Base-Backbone interact. energy: -0.381
local terms energy: -52.383534
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -155.340502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.340502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.340502 (E_RNA)
where:
Base-Base interactions energy: -86.932
where: short stacking energy: -36.058
Base-Backbone interact. energy: -0.121
local terms energy: -68.288088
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -11.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -152.271676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.271676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.271676 (E_RNA)
where:
Base-Base interactions energy: -90.109
where: short stacking energy: -43.117
Base-Backbone interact. energy: -0.840
local terms energy: -61.322919
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -76.708353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.708353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.708353 (E_RNA)
where:
Base-Base interactions energy: -26.006
where: short stacking energy: -26.006
Base-Backbone interact. energy: -0.286
local terms energy: -50.416681
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.168
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: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -73.514294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.514294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.514294 (E_RNA)
where:
Base-Base interactions energy: -28.618
where: short stacking energy: -27.123
Base-Backbone interact. energy: -0.100
local terms energy: -44.796443
where:
bonds (distance) C4'-P energy: -7.546
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -68.441551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.441551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.441551 (E_RNA)
where:
Base-Base interactions energy: -16.968
where: short stacking energy: -15.540
Base-Backbone interact. energy: -0.113
local terms energy: -51.359666
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -8.251
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: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -196.425340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.425340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.425340 (E_RNA)
where:
Base-Base interactions energy: -123.698
where: short stacking energy: -52.884
Base-Backbone interact. energy: -0.956
local terms energy: -71.770852
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -203.905883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.905883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.905883 (E_RNA)
where:
Base-Base interactions energy: -138.910
where: short stacking energy: -59.669
Base-Backbone interact. energy: -0.070
local terms energy: -64.925624
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -13.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -191.569845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.569845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.569845 (E_RNA)
where:
Base-Base interactions energy: -123.923
where: short stacking energy: -55.180
Base-Backbone interact. energy: -0.032
local terms energy: -67.615660
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -141.777660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.777660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.777660 (E_RNA)
where:
Base-Base interactions energy: -74.251
where: short stacking energy: -53.219
Base-Backbone interact. energy: -0.034
local terms energy: -67.492440
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -166.380896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.380896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.380896 (E_RNA)
where:
Base-Base interactions energy: -104.029
where: short stacking energy: -42.835
Base-Backbone interact. energy: -0.369
local terms energy: -61.983326
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -12.256
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: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -155.408150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.408150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.408150 (E_RNA)
where:
Base-Base interactions energy: -99.790
where: short stacking energy: -50.060
Base-Backbone interact. energy: -0.102
local terms energy: -55.515886
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -8.775
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -13.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -118.806247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.806247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.806247 (E_RNA)
where:
Base-Base interactions energy: -63.005
where: short stacking energy: -35.089
Base-Backbone interact. energy: -0.185
local terms energy: -55.616712
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -6.901
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -11.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -96.476740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.476740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.476740 (E_RNA)
where:
Base-Base interactions energy: -48.823
where: short stacking energy: -17.989
Base-Backbone interact. energy: -0.519
local terms energy: -47.135094
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -9.871
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: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -73.960305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.960305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.960305 (E_RNA)
where:
Base-Base interactions energy: -29.928
where: short stacking energy: -26.170
Base-Backbone interact. energy: -1.119
local terms energy: -42.913579
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -9.348
flat angles P-C4'-P energy: -5.369
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: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -71.102499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.102499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.102499 (E_RNA)
where:
Base-Base interactions energy: -26.495
where: short stacking energy: -19.442
Base-Backbone interact. energy: 1.385
local terms energy: -45.992646
where:
bonds (distance) C4'-P energy: -7.187
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -205.702816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.702816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.702816 (E_RNA)
where:
Base-Base interactions energy: -133.089
where: short stacking energy: -61.678
Base-Backbone interact. energy: -0.036
local terms energy: -72.577039
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -179.650509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.650509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.650509 (E_RNA)
where:
Base-Base interactions energy: -109.508
where: short stacking energy: -53.359
Base-Backbone interact. energy: 0.763
local terms energy: -70.905213
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -209.987978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.987978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.987978 (E_RNA)
where:
Base-Base interactions energy: -138.162
where: short stacking energy: -61.011
Base-Backbone interact. energy: -0.005
local terms energy: -71.821813
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -136.337254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.337254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.337254 (E_RNA)
where:
Base-Base interactions energy: -76.022
where: short stacking energy: -39.498
Base-Backbone interact. energy: -0.238
local terms energy: -60.076785
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -9.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -158.922549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.922549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.922549 (E_RNA)
where:
Base-Base interactions energy: -96.704
where: short stacking energy: -41.860
Base-Backbone interact. energy: -0.321
local terms energy: -61.896735
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -171.074646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.074646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.074646 (E_RNA)
where:
Base-Base interactions energy: -106.284
where: short stacking energy: -48.242
Base-Backbone interact. energy: -0.014
local terms energy: -64.776293
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -82.758847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.758847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.758847 (E_RNA)
where:
Base-Base interactions energy: -29.077
where: short stacking energy: -27.789
Base-Backbone interact. energy: -0.043
local terms energy: -53.639096
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -12.017
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: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -91.398250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.398250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.398250 (E_RNA)
where:
Base-Base interactions energy: -44.769
where: short stacking energy: -26.733
Base-Backbone interact. energy: -0.185
local terms energy: -46.443987
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -8.946
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -82.408503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.408503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.408503 (E_RNA)
where:
Base-Base interactions energy: -30.443
where: short stacking energy: -22.109
Base-Backbone interact. energy: -0.051
local terms energy: -51.914676
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -8.719
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -74.916272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.916272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.916272 (E_RNA)
where:
Base-Base interactions energy: -24.943
where: short stacking energy: -16.312
Base-Backbone interact. energy: -0.703
local terms energy: -49.271089
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -217.862340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.862340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.862340 (E_RNA)
where:
Base-Base interactions energy: -145.065
where: short stacking energy: -60.541
Base-Backbone interact. energy: -0.366
local terms energy: -72.431548
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -202.576424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.576424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576424 (E_RNA)
where:
Base-Base interactions energy: -129.115
where: short stacking energy: -61.161
Base-Backbone interact. energy: -0.001
local terms energy: -73.460373
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -193.157120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.157120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.157120 (E_RNA)
where:
Base-Base interactions energy: -126.518
where: short stacking energy: -54.756
Base-Backbone interact. energy: -0.116
local terms energy: -66.522625
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -166.036250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.036250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.036250 (E_RNA)
where:
Base-Base interactions energy: -97.968
where: short stacking energy: -52.876
Base-Backbone interact. energy: -0.028
local terms energy: -68.040430
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -14.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -135.445001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.445001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.445001 (E_RNA)
where:
Base-Base interactions energy: -79.511
where: short stacking energy: -33.379
Base-Backbone interact. energy: -0.042
local terms energy: -55.891498
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -5.643
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: 6, replica: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -146.963857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.963857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.963857 (E_RNA)
where:
Base-Base interactions energy: -88.512
where: short stacking energy: -38.288
Base-Backbone interact. energy: -0.003
local terms energy: -58.449255
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -7.996
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: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -100.838406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.838406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.838406 (E_RNA)
where:
Base-Base interactions energy: -48.421
where: short stacking energy: -26.704
Base-Backbone interact. energy: -0.084
local terms energy: -52.332542
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -2.031
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: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -86.876382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.876382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.876382 (E_RNA)
where:
Base-Base interactions energy: -38.274
where: short stacking energy: -25.167
Base-Backbone interact. energy: -0.806
local terms energy: -47.795997
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -75.957802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.957802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.957802 (E_RNA)
where:
Base-Base interactions energy: -28.358
where: short stacking energy: -20.399
Base-Backbone interact. energy: 0.935
local terms energy: -48.535375
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -71.423812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.423812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.423812 (E_RNA)
where:
Base-Base interactions energy: -25.418
where: short stacking energy: -22.193
Base-Backbone interact. energy: -0.179
local terms energy: -45.826460
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -0.412
tors. eta vs tors. theta energy: -3.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -206.431096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.431096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.431096 (E_RNA)
where:
Base-Base interactions energy: -136.781
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.217
local terms energy: -69.432210
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -13.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -199.282005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.282005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.282005 (E_RNA)
where:
Base-Base interactions energy: -128.838
where: short stacking energy: -55.807
Base-Backbone interact. energy: -0.137
local terms energy: -70.307267
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -176.515203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.515203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.515203 (E_RNA)
where:
Base-Base interactions energy: -119.806
where: short stacking energy: -60.997
Base-Backbone interact. energy: -0.063
local terms energy: -56.646063
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -180.164730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.164730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.164730 (E_RNA)
where:
Base-Base interactions energy: -113.708
where: short stacking energy: -53.017
Base-Backbone interact. energy: 0.063
local terms energy: -66.519727
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -146.496011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.496011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.496011 (E_RNA)
where:
Base-Base interactions energy: -96.374
where: short stacking energy: -43.013
Base-Backbone interact. energy: 0.004
local terms energy: -50.126038
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -2.540
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -136.470459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.470459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.470459 (E_RNA)
where:
Base-Base interactions energy: -87.046
where: short stacking energy: -44.952
Base-Backbone interact. energy: -0.565
local terms energy: -48.860166
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -6.638
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: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -88.342418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.342418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.342418 (E_RNA)
where:
Base-Base interactions energy: -31.235
where: short stacking energy: -30.682
Base-Backbone interact. energy: -0.149
local terms energy: -56.958783
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -97.994172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.994172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.994172 (E_RNA)
where:
Base-Base interactions energy: -42.511
where: short stacking energy: -38.133
Base-Backbone interact. energy: -0.095
local terms energy: -55.387803
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -73.487158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.487158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.487158 (E_RNA)
where:
Base-Base interactions energy: -24.496
where: short stacking energy: -17.439
Base-Backbone interact. energy: -0.371
local terms energy: -48.620328
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -6.435
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: 2
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -74.233759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.233759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.233759 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -23.725
Base-Backbone interact. energy: -0.030
local terms energy: -43.597621
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: 0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -214.507225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.507225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.507225 (E_RNA)
where:
Base-Base interactions energy: -144.587
where: short stacking energy: -61.809
Base-Backbone interact. energy: 0.813
local terms energy: -70.733314
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -18.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -176.574720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.574720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.574720 (E_RNA)
where:
Base-Base interactions energy: -112.208
where: short stacking energy: -52.672
Base-Backbone interact. energy: 1.062
local terms energy: -65.428748
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -196.788206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.788206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.788206 (E_RNA)
where:
Base-Base interactions energy: -130.335
where: short stacking energy: -58.000
Base-Backbone interact. energy: 0.025
local terms energy: -66.478602
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -151.321103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.321103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.321103 (E_RNA)
where:
Base-Base interactions energy: -95.307
where: short stacking energy: -39.471
Base-Backbone interact. energy: -0.153
local terms energy: -55.861653
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -170.283815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.283815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.283815 (E_RNA)
where:
Base-Base interactions energy: -107.700
where: short stacking energy: -37.379
Base-Backbone interact. energy: -0.109
local terms energy: -62.474733
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -6.910
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -104.089164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.089164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.089164 (E_RNA)
where:
Base-Base interactions energy: -53.866
where: short stacking energy: -32.171
Base-Backbone interact. energy: -0.125
local terms energy: -50.098512
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -2.461
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: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -141.703417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.703417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.703417 (E_RNA)
where:
Base-Base interactions energy: -93.544
where: short stacking energy: -50.338
Base-Backbone interact. energy: -0.187
local terms energy: -47.972548
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -5.000
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -11.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -90.259718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.259718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.259718 (E_RNA)
where:
Base-Base interactions energy: -42.711
where: short stacking energy: -42.515
Base-Backbone interact. energy: -0.617
local terms energy: -46.931554
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -9.892
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: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -87.070615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.070615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.070615 (E_RNA)
where:
Base-Base interactions energy: -36.491
where: short stacking energy: -24.831
Base-Backbone interact. energy: -0.173
local terms energy: -50.406600
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -9.081
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: 10, replica: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -72.914749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.914749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.914749 (E_RNA)
where:
Base-Base interactions energy: -23.702
where: short stacking energy: -17.377
Base-Backbone interact. energy: -0.133
local terms energy: -49.079007
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: 1.452
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: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -214.503990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.503990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.503990 (E_RNA)
where:
Base-Base interactions energy: -151.752
where: short stacking energy: -60.271
Base-Backbone interact. energy: -0.132
local terms energy: -62.619612
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -183.764931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.764931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.764931 (E_RNA)
where:
Base-Base interactions energy: -109.948
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.020
local terms energy: -73.797084
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -193.534092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.534092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.534092 (E_RNA)
where:
Base-Base interactions energy: -125.020
where: short stacking energy: -56.770
Base-Backbone interact. energy: -0.253
local terms energy: -68.260778
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -3.953
tors. eta vs tors. theta energy: -18.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -160.815255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.815255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.815255 (E_RNA)
where:
Base-Base interactions energy: -103.933
where: short stacking energy: -36.287
Base-Backbone interact. energy: -0.253
local terms energy: -56.629115
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -9.487
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: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -170.649627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.649627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.649627 (E_RNA)
where:
Base-Base interactions energy: -111.818
where: short stacking energy: -45.260
Base-Backbone interact. energy: -0.294
local terms energy: -58.536761
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -122.365209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.365209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.365209 (E_RNA)
where:
Base-Base interactions energy: -65.318
where: short stacking energy: -38.553
Base-Backbone interact. energy: -0.086
local terms energy: -56.961187
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -10.519
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: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -103.177609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.177609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.177609 (E_RNA)
where:
Base-Base interactions energy: -48.796
where: short stacking energy: -34.032
Base-Backbone interact. energy: -1.169
local terms energy: -53.211895
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -74.227767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.227767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.227767 (E_RNA)
where:
Base-Base interactions energy: -24.500
where: short stacking energy: -18.057
Base-Backbone interact. energy: -0.421
local terms energy: -49.306061
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -83.278663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.278663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.278663 (E_RNA)
where:
Base-Base interactions energy: -29.714
where: short stacking energy: -28.245
Base-Backbone interact. energy: 1.339
local terms energy: -54.904024
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -76.327244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.327244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.327244 (E_RNA)
where:
Base-Base interactions energy: -28.318
where: short stacking energy: -24.121
Base-Backbone interact. energy: 0.344
local terms energy: -48.353393
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -9.015
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -207.219730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.219730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.219730 (E_RNA)
where:
Base-Base interactions energy: -135.379
where: short stacking energy: -60.312
Base-Backbone interact. energy: -0.169
local terms energy: -71.672352
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -187.027346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.027346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.027346 (E_RNA)
where:
Base-Base interactions energy: -121.622
where: short stacking energy: -52.180
Base-Backbone interact. energy: -0.074
local terms energy: -65.331780
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -174.082754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.082754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.082754 (E_RNA)
where:
Base-Base interactions energy: -111.944
where: short stacking energy: -51.711
Base-Backbone interact. energy: -0.391
local terms energy: -61.747080
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -176.042619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.042619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.042619 (E_RNA)
where:
Base-Base interactions energy: -118.865
where: short stacking energy: -50.248
Base-Backbone interact. energy: -0.037
local terms energy: -57.140479
where:
bonds (distance) C4'-P energy: -8.250
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -11.080
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: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -166.241431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.241431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.241431 (E_RNA)
where:
Base-Base interactions energy: -107.139
where: short stacking energy: -51.265
Base-Backbone interact. energy: -0.078
local terms energy: -59.024224
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -99.797118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.797118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.797118 (E_RNA)
where:
Base-Base interactions energy: -45.194
where: short stacking energy: -27.695
Base-Backbone interact. energy: -0.116
local terms energy: -54.487550
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -7.455
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: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -78.700315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.700315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.700315 (E_RNA)
where:
Base-Base interactions energy: -29.860
where: short stacking energy: -29.860
Base-Backbone interact. energy: -0.218
local terms energy: -48.621818
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -98.689500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.689500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.689500 (E_RNA)
where:
Base-Base interactions energy: -43.388
where: short stacking energy: -30.691
Base-Backbone interact. energy: -0.290
local terms energy: -55.011322
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -11.265
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: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -79.960510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.960510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.960510 (E_RNA)
where:
Base-Base interactions energy: -34.279
where: short stacking energy: -27.946
Base-Backbone interact. energy: 0.109
local terms energy: -45.791338
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -6.505
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: 10, replica: 2
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -74.705957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.705957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.705957 (E_RNA)
where:
Base-Base interactions energy: -35.246
where: short stacking energy: -19.000
Base-Backbone interact. energy: -0.779
local terms energy: -38.681266
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -7.422
flat angles P-C4'-P energy: -3.708
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: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -200.753613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.753613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.753613 (E_RNA)
where:
Base-Base interactions energy: -129.756
where: short stacking energy: -53.345
Base-Backbone interact. energy: -0.012
local terms energy: -70.986026
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -15.818
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: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -196.679451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.679451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.679451 (E_RNA)
where:
Base-Base interactions energy: -126.882
where: short stacking energy: -60.777
Base-Backbone interact. energy: 1.293
local terms energy: -71.090058
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -159.925583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.925583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.925583 (E_RNA)
where:
Base-Base interactions energy: -95.514
where: short stacking energy: -38.347
Base-Backbone interact. energy: -0.000
local terms energy: -64.411025
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -173.996005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.996005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.996005 (E_RNA)
where:
Base-Base interactions energy: -106.620
where: short stacking energy: -56.313
Base-Backbone interact. energy: -0.398
local terms energy: -66.977435
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -172.436718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.436718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.436718 (E_RNA)
where:
Base-Base interactions energy: -104.879
where: short stacking energy: -47.943
Base-Backbone interact. energy: -0.101
local terms energy: -67.457302
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -13.895
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: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -92.492713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.492713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.492713 (E_RNA)
where:
Base-Base interactions energy: -30.743
where: short stacking energy: -30.743
Base-Backbone interact. energy: -0.065
local terms energy: -61.684805
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -86.089317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.089317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.089317 (E_RNA)
where:
Base-Base interactions energy: -30.555
where: short stacking energy: -30.555
Base-Backbone interact. energy: -0.102
local terms energy: -55.432764
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -80.600048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.600048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.600048 (E_RNA)
where:
Base-Base interactions energy: -31.327
where: short stacking energy: -27.420
Base-Backbone interact. energy: -0.045
local terms energy: -49.227878
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -9.259
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: 9, replica: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -90.609955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.609955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.609955 (E_RNA)
where:
Base-Base interactions energy: -48.544
where: short stacking energy: -34.266
Base-Backbone interact. energy: -0.105
local terms energy: -41.961019
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -75.880616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.880616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.880616 (E_RNA)
where:
Base-Base interactions energy: -33.593
where: short stacking energy: -18.537
Base-Backbone interact. energy: -0.219
local terms energy: -42.068698
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -2.805
tors. eta vs tors. theta energy: -0.516
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: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -201.488383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.488383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.488383 (E_RNA)
where:
Base-Base interactions energy: -133.124
where: short stacking energy: -63.010
Base-Backbone interact. energy: -0.802
local terms energy: -67.562303
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -198.823905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.823905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.823905 (E_RNA)
where:
Base-Base interactions energy: -129.071
where: short stacking energy: -55.692
Base-Backbone interact. energy: -0.124
local terms energy: -69.628767
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -182.744123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.744123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.744123 (E_RNA)
where:
Base-Base interactions energy: -119.593
where: short stacking energy: -58.631
Base-Backbone interact. energy: -0.008
local terms energy: -63.143716
where:
bonds (distance) C4'-P energy: -7.096
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -155.662241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.662241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.662241 (E_RNA)
where:
Base-Base interactions energy: -94.944
where: short stacking energy: -46.523
Base-Backbone interact. energy: 0.260
local terms energy: -60.977913
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -7.330
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: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -158.643793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.643793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.643793 (E_RNA)
where:
Base-Base interactions energy: -99.495
where: short stacking energy: -36.245
Base-Backbone interact. energy: -0.092
local terms energy: -59.056790
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -105.731405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.731405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.731405 (E_RNA)
where:
Base-Base interactions energy: -52.344
where: short stacking energy: -37.252
Base-Backbone interact. energy: -0.001
local terms energy: -53.386488
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -2.734
tors. eta vs tors. theta energy: -6.874
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: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -90.624463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.624463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.624463 (E_RNA)
where:
Base-Base interactions energy: -36.281
where: short stacking energy: -35.492
Base-Backbone interact. energy: -0.052
local terms energy: -54.291461
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -6.019
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: 8, replica: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -78.165400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165400 (E_RNA)
where:
Base-Base interactions energy: -36.749
where: short stacking energy: -18.513
Base-Backbone interact. energy: 0.311
local terms energy: -41.727641
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: 1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -84.035111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.035111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.035111 (E_RNA)
where:
Base-Base interactions energy: -29.344
where: short stacking energy: -23.023
Base-Backbone interact. energy: -0.165
local terms energy: -54.525871
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -78.078691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.078691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.078691 (E_RNA)
where:
Base-Base interactions energy: -26.763
where: short stacking energy: -26.226
Base-Backbone interact. energy: -0.772
local terms energy: -50.543925
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -6.757
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: 66
Temperature: 0.900000
Total energy: -208.034224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.034224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.034224 (E_RNA)
where:
Base-Base interactions energy: -138.407
where: short stacking energy: -60.412
Base-Backbone interact. energy: -0.001
local terms energy: -69.625911
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -190.464649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.464649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.464649 (E_RNA)
where:
Base-Base interactions energy: -125.397
where: short stacking energy: -57.285
Base-Backbone interact. energy: -0.027
local terms energy: -65.040215
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -180.180566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.180566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.180566 (E_RNA)
where:
Base-Base interactions energy: -117.264
where: short stacking energy: -57.720
Base-Backbone interact. energy: -0.195
local terms energy: -62.721262
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -8.030
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -161.788428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.788428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.788428 (E_RNA)
where:
Base-Base interactions energy: -95.740
where: short stacking energy: -41.754
Base-Backbone interact. energy: -0.318
local terms energy: -65.730211
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -151.637911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.637911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.637911 (E_RNA)
where:
Base-Base interactions energy: -94.662
where: short stacking energy: -36.128
Base-Backbone interact. energy: -0.174
local terms energy: -56.802550
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -87.519274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.519274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.519274 (E_RNA)
where:
Base-Base interactions energy: -33.884
where: short stacking energy: -29.927
Base-Backbone interact. energy: -0.220
local terms energy: -53.415419
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -4.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -85.479480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.479480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.479480 (E_RNA)
where:
Base-Base interactions energy: -42.285
where: short stacking energy: -19.349
Base-Backbone interact. energy: -0.342
local terms energy: -42.852416
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -2.847
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: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -86.651720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.651720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.651720 (E_RNA)
where:
Base-Base interactions energy: -38.015
where: short stacking energy: -28.093
Base-Backbone interact. energy: -1.212
local terms energy: -47.424366
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -73.150122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.150122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.150122 (E_RNA)
where:
Base-Base interactions energy: -14.688
where: short stacking energy: -14.510
Base-Backbone interact. energy: -0.256
local terms energy: -58.205404
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -11.165
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: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -78.491369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.491369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.491369 (E_RNA)
where:
Base-Base interactions energy: -29.719
where: short stacking energy: -29.719
Base-Backbone interact. energy: -0.765
local terms energy: -48.007521
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -206.562112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.562112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.562112 (E_RNA)
where:
Base-Base interactions energy: -143.548
where: short stacking energy: -64.198
Base-Backbone interact. energy: -0.001
local terms energy: -63.012749
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -19.693
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: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -202.181522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.181522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.181522 (E_RNA)
where:
Base-Base interactions energy: -134.141
where: short stacking energy: -59.773
Base-Backbone interact. energy: -0.216
local terms energy: -67.823877
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -18.118
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: 67
Temperature: 1.000000
Total energy: -160.538696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.538696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.538696 (E_RNA)
where:
Base-Base interactions energy: -101.996
where: short stacking energy: -48.977
Base-Backbone interact. energy: -0.006
local terms energy: -58.536379
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -12.887
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: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -159.554162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.554162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.554162 (E_RNA)
where:
Base-Base interactions energy: -93.118
where: short stacking energy: -43.392
Base-Backbone interact. energy: -0.009
local terms energy: -66.427383
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -152.191719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.191719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.191719 (E_RNA)
where:
Base-Base interactions energy: -88.250
where: short stacking energy: -45.218
Base-Backbone interact. energy: -0.002
local terms energy: -63.939678
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -85.834059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.834059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.834059 (E_RNA)
where:
Base-Base interactions energy: -40.350
where: short stacking energy: -21.380
Base-Backbone interact. energy: 0.211
local terms energy: -45.695062
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -8.718
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: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -88.991690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.991690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.991690 (E_RNA)
where:
Base-Base interactions energy: -29.423
where: short stacking energy: -28.892
Base-Backbone interact. energy: -0.126
local terms energy: -59.442555
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -8.176
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: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -95.729562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.729562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.729562 (E_RNA)
where:
Base-Base interactions energy: -48.072
where: short stacking energy: -25.353
Base-Backbone interact. energy: -0.252
local terms energy: -47.405636
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -63.639065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.639065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.639065 (E_RNA)
where:
Base-Base interactions energy: -26.542
where: short stacking energy: -16.300
Base-Backbone interact. energy: 0.063
local terms energy: -37.159719
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -0.735
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: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -73.419701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.419701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.419701 (E_RNA)
where:
Base-Base interactions energy: -31.920
where: short stacking energy: -24.297
Base-Backbone interact. energy: -0.161
local terms energy: -41.338677
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: 1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -214.013632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.013632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.013632 (E_RNA)
where:
Base-Base interactions energy: -143.000
where: short stacking energy: -65.131
Base-Backbone interact. energy: -0.002
local terms energy: -71.012139
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -21.025
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: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -207.320464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.320464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.320464 (E_RNA)
where:
Base-Base interactions energy: -134.524
where: short stacking energy: -60.208
Base-Backbone interact. energy: -0.068
local terms energy: -72.728521
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -19.656
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: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -165.059105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.059105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.059105 (E_RNA)
where:
Base-Base interactions energy: -99.762
where: short stacking energy: -47.991
Base-Backbone interact. energy: -0.757
local terms energy: -64.540161
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -14.051
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: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -204.747420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.747420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.747420 (E_RNA)
where:
Base-Base interactions energy: -134.866
where: short stacking energy: -64.664
Base-Backbone interact. energy: -0.360
local terms energy: -69.521892
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -17.512
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: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -158.455180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.455180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.455180 (E_RNA)
where:
Base-Base interactions energy: -93.817
where: short stacking energy: -37.678
Base-Backbone interact. energy: -0.060
local terms energy: -64.578288
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -88.802324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.802324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.802324 (E_RNA)
where:
Base-Base interactions energy: -28.743
where: short stacking energy: -28.743
Base-Backbone interact. energy: -0.055
local terms energy: -60.003929
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -84.055819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.055819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.055819 (E_RNA)
where:
Base-Base interactions energy: -37.267
where: short stacking energy: -23.939
Base-Backbone interact. energy: -0.163
local terms energy: -46.625820
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -6.557
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: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -86.321843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.321843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.321843 (E_RNA)
where:
Base-Base interactions energy: -39.602
where: short stacking energy: -38.205
Base-Backbone interact. energy: -0.013
local terms energy: -46.706541
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -71.435055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.435055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.435055 (E_RNA)
where:
Base-Base interactions energy: -23.967
where: short stacking energy: -22.893
Base-Backbone interact. energy: -1.032
local terms energy: -46.436232
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -72.625733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.625733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.625733 (E_RNA)
where:
Base-Base interactions energy: -27.987
where: short stacking energy: -22.065
Base-Backbone interact. energy: -0.472
local terms energy: -44.166595
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -7.345
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: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -213.646938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.646938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.646938 (E_RNA)
where:
Base-Base interactions energy: -139.066
where: short stacking energy: -61.143
Base-Backbone interact. energy: -0.122
local terms energy: -74.459307
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -205.323003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.323003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.323003 (E_RNA)
where:
Base-Base interactions energy: -132.321
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.912
local terms energy: -72.090160
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -168.690336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.690336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.690336 (E_RNA)
where:
Base-Base interactions energy: -103.596
where: short stacking energy: -50.586
Base-Backbone interact. energy: -0.207
local terms energy: -64.886754
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -205.217100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.217100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.217100 (E_RNA)
where:
Base-Base interactions energy: -139.487
where: short stacking energy: -61.773
Base-Backbone interact. energy: -0.390
local terms energy: -65.340872
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -146.135139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.135139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.135139 (E_RNA)
where:
Base-Base interactions energy: -88.875
where: short stacking energy: -41.735
Base-Backbone interact. energy: -0.450
local terms energy: -56.810218
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -104.242123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.242123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.242123 (E_RNA)
where:
Base-Base interactions energy: -44.217
where: short stacking energy: -38.972
Base-Backbone interact. energy: 0.353
local terms energy: -60.378076
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -79.178782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.178782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.178782 (E_RNA)
where:
Base-Base interactions energy: -30.683
where: short stacking energy: -30.158
Base-Backbone interact. energy: -1.022
local terms energy: -47.474552
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -8.414
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: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -75.592755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.592755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.592755 (E_RNA)
where:
Base-Base interactions energy: -33.005
where: short stacking energy: -22.153
Base-Backbone interact. energy: -0.112
local terms energy: -42.476418
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -4.779
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: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -75.718313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.718313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.718313 (E_RNA)
where:
Base-Base interactions energy: -24.800
where: short stacking energy: -24.800
Base-Backbone interact. energy: -0.057
local terms energy: -50.861659
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -69.671372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.671372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.671372 (E_RNA)
where:
Base-Base interactions energy: -26.382
where: short stacking energy: -25.458
Base-Backbone interact. energy: -0.205
local terms energy: -43.084597
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -7.369
flat angles P-C4'-P energy: -8.005
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: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -208.385664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.385664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.385664 (E_RNA)
where:
Base-Base interactions energy: -136.650
where: short stacking energy: -58.452
Base-Backbone interact. energy: -0.006
local terms energy: -71.729684
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -19.041
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: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -208.271903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.271903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.271903 (E_RNA)
where:
Base-Base interactions energy: -136.516
where: short stacking energy: -65.335
Base-Backbone interact. energy: -0.114
local terms energy: -71.641622
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -190.981924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.981924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.981924 (E_RNA)
where:
Base-Base interactions energy: -121.699
where: short stacking energy: -62.659
Base-Backbone interact. energy: -0.030
local terms energy: -69.253587
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -18.894
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: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -185.033542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.033542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.033542 (E_RNA)
where:
Base-Base interactions energy: -123.150
where: short stacking energy: -55.126
Base-Backbone interact. energy: -0.656
local terms energy: -61.227478
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -13.844
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: 70
Temperature: 1.100000
Total energy: -148.143823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.143823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.143823 (E_RNA)
where:
Base-Base interactions energy: -84.943
where: short stacking energy: -39.106
Base-Backbone interact. energy: -0.159
local terms energy: -63.042309
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -10.910
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: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -85.843063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.843063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.843063 (E_RNA)
where:
Base-Base interactions energy: -35.848
where: short stacking energy: -25.622
Base-Backbone interact. energy: -0.318
local terms energy: -49.676871
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -6.751
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: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -88.504739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.504739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.504739 (E_RNA)
where:
Base-Base interactions energy: -44.237
where: short stacking energy: -19.235
Base-Backbone interact. energy: -0.053
local terms energy: -44.214372
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -79.145183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.145183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.145183 (E_RNA)
where:
Base-Base interactions energy: -26.706
where: short stacking energy: -26.706
Base-Backbone interact. energy: -0.084
local terms energy: -52.354864
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -6.165
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -83.612507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.612507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.612507 (E_RNA)
where:
Base-Base interactions energy: -33.511
where: short stacking energy: -21.120
Base-Backbone interact. energy: -0.032
local terms energy: -50.069309
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -6.997
flat angles P-C4'-P energy: -10.776
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: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -72.281870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.281870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.281870 (E_RNA)
where:
Base-Base interactions energy: -22.026
where: short stacking energy: -22.026
Base-Backbone interact. energy: -0.151
local terms energy: -50.105418
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: 0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -207.828053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.828053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.828053 (E_RNA)
where:
Base-Base interactions energy: -138.439
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.117
local terms energy: -69.272577
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -207.738313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.738313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.738313 (E_RNA)
where:
Base-Base interactions energy: -133.655
where: short stacking energy: -58.616
Base-Backbone interact. energy: -0.002
local terms energy: -74.080716
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -190.175433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.175433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.175433 (E_RNA)
where:
Base-Base interactions energy: -121.131
where: short stacking energy: -55.514
Base-Backbone interact. energy: 2.315
local terms energy: -71.358717
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -159.723176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.723176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.723176 (E_RNA)
where:
Base-Base interactions energy: -87.880
where: short stacking energy: -43.401
Base-Backbone interact. energy: -0.841
local terms energy: -71.002543
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -155.259108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.259108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.259108 (E_RNA)
where:
Base-Base interactions energy: -98.216
where: short stacking energy: -38.476
Base-Backbone interact. energy: -0.003
local terms energy: -57.040807
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -12.296
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: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -116.560989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.560989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.560989 (E_RNA)
where:
Base-Base interactions energy: -64.816
where: short stacking energy: -32.267
Base-Backbone interact. energy: -0.139
local terms energy: -51.606607
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -84.593417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.593417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.593417 (E_RNA)
where:
Base-Base interactions energy: -32.468
where: short stacking energy: -32.468
Base-Backbone interact. energy: -0.026
local terms energy: -52.099729
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -7.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -86.664874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.664874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.664874 (E_RNA)
where:
Base-Base interactions energy: -35.277
where: short stacking energy: -34.644
Base-Backbone interact. energy: -0.103
local terms energy: -51.284681
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -7.365
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -6.558
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: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -73.800247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.800247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.800247 (E_RNA)
where:
Base-Base interactions energy: -24.906
where: short stacking energy: -16.923
Base-Backbone interact. energy: -0.124
local terms energy: -48.770088
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -6.632
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -0.317
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: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -69.766340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.766340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.766340 (E_RNA)
where:
Base-Base interactions energy: -24.681
where: short stacking energy: -23.701
Base-Backbone interact. energy: -0.249
local terms energy: -44.836692
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -9.107
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: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -208.062859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.062859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.062859 (E_RNA)
where:
Base-Base interactions energy: -134.748
where: short stacking energy: -62.166
Base-Backbone interact. energy: -0.045
local terms energy: -73.269878
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -202.811037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.811037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.811037 (E_RNA)
where:
Base-Base interactions energy: -135.810
where: short stacking energy: -62.650
Base-Backbone interact. energy: -0.212
local terms energy: -66.788376
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -197.690738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.690738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.690738 (E_RNA)
where:
Base-Base interactions energy: -133.419
where: short stacking energy: -44.616
Base-Backbone interact. energy: -0.020
local terms energy: -64.252314
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: -15.368
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: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -146.215005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.215005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.215005 (E_RNA)
where:
Base-Base interactions energy: -93.136
where: short stacking energy: -40.665
Base-Backbone interact. energy: -0.049
local terms energy: -53.030612
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -8.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -126.330657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.330657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.330657 (E_RNA)
where:
Base-Base interactions energy: -72.690
where: short stacking energy: -38.370
Base-Backbone interact. energy: -0.010
local terms energy: -53.630106
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -9.643
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: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -148.162916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.162916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.162916 (E_RNA)
where:
Base-Base interactions energy: -89.644
where: short stacking energy: -37.041
Base-Backbone interact. energy: -0.002
local terms energy: -58.517876
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -4.367
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: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -98.693739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.693739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.693739 (E_RNA)
where:
Base-Base interactions energy: -46.726
where: short stacking energy: -27.126
Base-Backbone interact. energy: -0.164
local terms energy: -51.803975
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -72.548534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.548534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.548534 (E_RNA)
where:
Base-Base interactions energy: -27.923
where: short stacking energy: -27.813
Base-Backbone interact. energy: 0.783
local terms energy: -45.408796
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -7.413
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: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -81.416110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.416110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.416110 (E_RNA)
where:
Base-Base interactions energy: -29.341
where: short stacking energy: -25.633
Base-Backbone interact. energy: -0.007
local terms energy: -52.067464
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -5.613
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: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -84.351262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.351262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.351262 (E_RNA)
where:
Base-Base interactions energy: -31.013
where: short stacking energy: -31.013
Base-Backbone interact. energy: -0.064
local terms energy: -53.274083
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -211.013510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.013510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.013510 (E_RNA)
where:
Base-Base interactions energy: -139.058
where: short stacking energy: -60.310
Base-Backbone interact. energy: -0.096
local terms energy: -71.859150
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -198.753288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.753288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.753288 (E_RNA)
where:
Base-Base interactions energy: -129.329
where: short stacking energy: -59.846
Base-Backbone interact. energy: 0.517
local terms energy: -69.941036
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -183.211552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.211552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.211552 (E_RNA)
where:
Base-Base interactions energy: -119.968
where: short stacking energy: -57.792
Base-Backbone interact. energy: -0.711
local terms energy: -62.533002
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -17.436
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: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -160.017708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.017708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.017708 (E_RNA)
where:
Base-Base interactions energy: -101.954
where: short stacking energy: -44.877
Base-Backbone interact. energy: -0.102
local terms energy: -57.961819
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -8.855
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: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -123.119930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.119930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.119930 (E_RNA)
where:
Base-Base interactions energy: -76.339
where: short stacking energy: -39.776
Base-Backbone interact. energy: -0.321
local terms energy: -46.459225
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -143.922884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.922884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.922884 (E_RNA)
where:
Base-Base interactions energy: -80.637
where: short stacking energy: -35.398
Base-Backbone interact. energy: -0.023
local terms energy: -63.263523
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -8.836
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: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -82.211698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.211698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.211698 (E_RNA)
where:
Base-Base interactions energy: -26.131
where: short stacking energy: -26.131
Base-Backbone interact. energy: -0.135
local terms energy: -55.945385
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -94.239202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.239202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.239202 (E_RNA)
where:
Base-Base interactions energy: -44.622
where: short stacking energy: -32.885
Base-Backbone interact. energy: -0.083
local terms energy: -49.534189
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -80.298966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.298966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.298966 (E_RNA)
where:
Base-Base interactions energy: -30.840
where: short stacking energy: -18.368
Base-Backbone interact. energy: -0.523
local terms energy: -48.935597
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -3.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -75.397138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.397138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.397138 (E_RNA)
where:
Base-Base interactions energy: -25.343
where: short stacking energy: -24.245
Base-Backbone interact. energy: -0.078
local terms energy: -49.975982
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -10.883
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: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -216.377774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.377774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.377774 (E_RNA)
where:
Base-Base interactions energy: -143.637
where: short stacking energy: -67.951
Base-Backbone interact. energy: -0.002
local terms energy: -72.738372
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -207.730769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.730769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.730769 (E_RNA)
where:
Base-Base interactions energy: -140.744
where: short stacking energy: -62.880
Base-Backbone interact. energy: -0.000
local terms energy: -66.986784
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -184.951580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.951580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.951580 (E_RNA)
where:
Base-Base interactions energy: -124.775
where: short stacking energy: -59.894
Base-Backbone interact. energy: -0.477
local terms energy: -59.699833
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -4.552
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -176.529200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.529200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.529200 (E_RNA)
where:
Base-Base interactions energy: -110.207
where: short stacking energy: -51.071
Base-Backbone interact. energy: -0.164
local terms energy: -66.157529
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -161.868919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.868919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.868919 (E_RNA)
where:
Base-Base interactions energy: -96.051
where: short stacking energy: -41.158
Base-Backbone interact. energy: -0.157
local terms energy: -65.661055
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -122.448230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.448230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.448230 (E_RNA)
where:
Base-Base interactions energy: -71.973
where: short stacking energy: -33.880
Base-Backbone interact. energy: -0.167
local terms energy: -50.308267
where:
bonds (distance) C4'-P energy: -6.529
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -88.767520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.767520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.767520 (E_RNA)
where:
Base-Base interactions energy: -36.066
where: short stacking energy: -36.066
Base-Backbone interact. energy: -0.004
local terms energy: -52.697235
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -9.857
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -93.666837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.666837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.666837 (E_RNA)
where:
Base-Base interactions energy: -47.035
where: short stacking energy: -27.476
Base-Backbone interact. energy: -0.189
local terms energy: -46.442946
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -8.469
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: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -76.672274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.672274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.672274 (E_RNA)
where:
Base-Base interactions energy: -30.587
where: short stacking energy: -30.587
Base-Backbone interact. energy: -0.015
local terms energy: -46.069349
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -75.639723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.639723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.639723 (E_RNA)
where:
Base-Base interactions energy: -26.322
where: short stacking energy: -21.987
Base-Backbone interact. energy: -0.156
local terms energy: -49.161886
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -2.746
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: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -210.693684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.693684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.693684 (E_RNA)
where:
Base-Base interactions energy: -140.331
where: short stacking energy: -64.108
Base-Backbone interact. energy: -0.003
local terms energy: -70.360382
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -19.809
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: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -204.081078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.081078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.081078 (E_RNA)
where:
Base-Base interactions energy: -134.308
where: short stacking energy: -55.725
Base-Backbone interact. energy: 0.012
local terms energy: -69.784497
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -18.250
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: 75
Temperature: 1.000000
Total energy: -199.202455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.202455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.202455 (E_RNA)
where:
Base-Base interactions energy: -137.263
where: short stacking energy: -54.746
Base-Backbone interact. energy: -0.337
local terms energy: -61.602758
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -13.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -152.834274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.834274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.834274 (E_RNA)
where:
Base-Base interactions energy: -93.410
where: short stacking energy: -46.850
Base-Backbone interact. energy: -0.410
local terms energy: -59.013882
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -9.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -177.656958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.656958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.656958 (E_RNA)
where:
Base-Base interactions energy: -122.059
where: short stacking energy: -50.647
Base-Backbone interact. energy: -0.100
local terms energy: -55.497686
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -92.744283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.744283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.744283 (E_RNA)
where:
Base-Base interactions energy: -41.142
where: short stacking energy: -30.776
Base-Backbone interact. energy: 0.030
local terms energy: -51.632333
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -118.182684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.182684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.182684 (E_RNA)
where:
Base-Base interactions energy: -65.016
where: short stacking energy: -26.690
Base-Backbone interact. energy: -0.101
local terms energy: -53.066122
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -6.002
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: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -77.855298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.855298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.855298 (E_RNA)
where:
Base-Base interactions energy: -24.858
where: short stacking energy: -22.771
Base-Backbone interact. energy: -0.057
local terms energy: -52.940229
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -8.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -75.245741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.245741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.245741 (E_RNA)
where:
Base-Base interactions energy: -30.305
where: short stacking energy: -25.645
Base-Backbone interact. energy: -1.671
local terms energy: -43.269097
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -67.799993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.799993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.799993 (E_RNA)
where:
Base-Base interactions energy: -22.436
where: short stacking energy: -22.436
Base-Backbone interact. energy: -0.129
local terms energy: -45.234679
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: 0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -189.553852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.553852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.553852 (E_RNA)
where:
Base-Base interactions energy: -119.543
where: short stacking energy: -58.451
Base-Backbone interact. energy: -0.816
local terms energy: -69.194658
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -206.389371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.389371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.389371 (E_RNA)
where:
Base-Base interactions energy: -135.446
where: short stacking energy: -59.779
Base-Backbone interact. energy: -0.960
local terms energy: -69.983985
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -18.465
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: 76
Temperature: 1.000000
Total energy: -154.686839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.686839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.686839 (E_RNA)
where:
Base-Base interactions energy: -89.124
where: short stacking energy: -43.029
Base-Backbone interact. energy: 0.992
local terms energy: -66.555077
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -11.900
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: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -187.085417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.085417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.085417 (E_RNA)
where:
Base-Base interactions energy: -119.351
where: short stacking energy: -51.172
Base-Backbone interact. energy: -0.027
local terms energy: -67.707062
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -169.542405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.542405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.542405 (E_RNA)
where:
Base-Base interactions energy: -105.418
where: short stacking energy: -43.384
Base-Backbone interact. energy: -0.678
local terms energy: -63.446070
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -83.086284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.086284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.086284 (E_RNA)
where:
Base-Base interactions energy: -28.457
where: short stacking energy: -23.332
Base-Backbone interact. energy: -1.241
local terms energy: -53.387633
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -4.709
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: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -82.984414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.984414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.984414 (E_RNA)
where:
Base-Base interactions energy: -29.150
where: short stacking energy: -13.736
Base-Backbone interact. energy: -0.329
local terms energy: -53.505043
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -80.790954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.790954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.790954 (E_RNA)
where:
Base-Base interactions energy: -37.948
where: short stacking energy: -31.166
Base-Backbone interact. energy: 1.701
local terms energy: -44.543971
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -86.030662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.030662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.030662 (E_RNA)
where:
Base-Base interactions energy: -39.361
where: short stacking energy: -24.542
Base-Backbone interact. energy: -0.153
local terms energy: -46.516924
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: 3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -74.402930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.402930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.402930 (E_RNA)
where:
Base-Base interactions energy: -31.692
where: short stacking energy: -28.808
Base-Backbone interact. energy: -0.017
local terms energy: -42.693800
where:
bonds (distance) C4'-P energy: -9.341
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -3.662
tors. eta vs tors. theta energy: -3.473
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: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -184.234565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.234565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.234565 (E_RNA)
where:
Base-Base interactions energy: -115.815
where: short stacking energy: -51.007
Base-Backbone interact. energy: -0.503
local terms energy: -67.916678
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -204.966087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.966087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.966087 (E_RNA)
where:
Base-Base interactions energy: -131.009
where: short stacking energy: -55.572
Base-Backbone interact. energy: -0.001
local terms energy: -73.956617
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -20.253
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: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -168.744870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.744870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.744870 (E_RNA)
where:
Base-Base interactions energy: -107.145
where: short stacking energy: -41.779
Base-Backbone interact. energy: -0.100
local terms energy: -61.499922
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -201.613306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.613306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.613306 (E_RNA)
where:
Base-Base interactions energy: -129.708
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.006
local terms energy: -71.899311
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -147.087343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.087343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.087343 (E_RNA)
where:
Base-Base interactions energy: -87.372
where: short stacking energy: -45.459
Base-Backbone interact. energy: -0.131
local terms energy: -59.584191
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -11.581
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: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -99.927111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.927111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.927111 (E_RNA)
where:
Base-Base interactions energy: -45.361
where: short stacking energy: -40.684
Base-Backbone interact. energy: -0.001
local terms energy: -54.564347
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -9.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -88.922531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.922531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.922531 (E_RNA)
where:
Base-Base interactions energy: -34.887
where: short stacking energy: -34.887
Base-Backbone interact. energy: -0.172
local terms energy: -53.863127
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -4.125
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: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -79.758299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.758299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.758299 (E_RNA)
where:
Base-Base interactions energy: -29.477
where: short stacking energy: -20.658
Base-Backbone interact. energy: -0.125
local terms energy: -50.157196
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -71.901237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.901237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.901237 (E_RNA)
where:
Base-Base interactions energy: -30.148
where: short stacking energy: -20.448
Base-Backbone interact. energy: 1.156
local terms energy: -42.909078
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -9.431
flat angles C4'-P-C4' energy: -5.015
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -83.542416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.542416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.542416 (E_RNA)
where:
Base-Base interactions energy: -29.017
where: short stacking energy: -29.017
Base-Backbone interact. energy: -0.266
local terms energy: -54.259249
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -209.350326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.350326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.350326 (E_RNA)
where:
Base-Base interactions energy: -132.248
where: short stacking energy: -60.417
Base-Backbone interact. energy: -0.001
local terms energy: -77.101762
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -175.747900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.747900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.747900 (E_RNA)
where:
Base-Base interactions energy: -105.240
where: short stacking energy: -41.228
Base-Backbone interact. energy: -0.338
local terms energy: -70.170370
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -14.548
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: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -191.238850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.238850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.238850 (E_RNA)
where:
Base-Base interactions energy: -126.134
where: short stacking energy: -60.708
Base-Backbone interact. energy: -0.005
local terms energy: -65.100354
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -9.083
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -17.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -158.214624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.214624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.214624 (E_RNA)
where:
Base-Base interactions energy: -99.059
where: short stacking energy: -45.720
Base-Backbone interact. energy: -0.527
local terms energy: -58.627885
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -166.195522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.195522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.195522 (E_RNA)
where:
Base-Base interactions energy: -113.094
where: short stacking energy: -54.624
Base-Backbone interact. energy: -0.113
local terms energy: -52.987982
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -96.146052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.146052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.146052 (E_RNA)
where:
Base-Base interactions energy: -34.948
where: short stacking energy: -34.512
Base-Backbone interact. energy: -0.126
local terms energy: -61.072246
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -86.429800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.429800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.429800 (E_RNA)
where:
Base-Base interactions energy: -36.170
where: short stacking energy: -36.398
Base-Backbone interact. energy: -0.452
local terms energy: -49.807731
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -7.727
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -6.177
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: 78
Temperature: 1.250000
Total energy: -81.481924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.481924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.481924 (E_RNA)
where:
Base-Base interactions energy: -34.951
where: short stacking energy: -26.714
Base-Backbone interact. energy: -0.335
local terms energy: -46.195963
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -9.607
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: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -78.241343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.241343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.241343 (E_RNA)
where:
Base-Base interactions energy: -27.551
where: short stacking energy: -20.306
Base-Backbone interact. energy: -0.013
local terms energy: -50.677553
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -5.838
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: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -75.763556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.763556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.763556 (E_RNA)
where:
Base-Base interactions energy: -31.874
where: short stacking energy: -31.874
Base-Backbone interact. energy: -0.073
local terms energy: -43.816197
where:
bonds (distance) C4'-P energy: -3.215
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -6.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -208.746864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.746864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.746864 (E_RNA)
where:
Base-Base interactions energy: -132.292
where: short stacking energy: -63.818
Base-Backbone interact. energy: -0.264
local terms energy: -76.191409
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -185.822797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.822797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.822797 (E_RNA)
where:
Base-Base interactions energy: -117.695
where: short stacking energy: -53.824
Base-Backbone interact. energy: -0.012
local terms energy: -68.116289
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -16.587
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: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -196.105792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.105792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.105792 (E_RNA)
where:
Base-Base interactions energy: -124.370
where: short stacking energy: -60.977
Base-Backbone interact. energy: -0.001
local terms energy: -71.735384
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -178.439886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.439886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.439886 (E_RNA)
where:
Base-Base interactions energy: -114.379
where: short stacking energy: -49.740
Base-Backbone interact. energy: -0.036
local terms energy: -64.025113
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -153.474939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.474939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.474939 (E_RNA)
where:
Base-Base interactions energy: -93.608
where: short stacking energy: -39.287
Base-Backbone interact. energy: -0.591
local terms energy: -59.275073
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -3.164
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -100.167233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.167233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.167233 (E_RNA)
where:
Base-Base interactions energy: -45.106
where: short stacking energy: -42.153
Base-Backbone interact. energy: -0.018
local terms energy: -55.043050
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -7.672
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: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -90.205267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.205267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.205267 (E_RNA)
where:
Base-Base interactions energy: -28.237
where: short stacking energy: -28.237
Base-Backbone interact. energy: -1.172
local terms energy: -60.796362
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -82.849115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.849115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.849115 (E_RNA)
where:
Base-Base interactions energy: -32.350
where: short stacking energy: -29.838
Base-Backbone interact. energy: -1.337
local terms energy: -49.162365
where:
bonds (distance) C4'-P energy: -8.249
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -75.066799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.066799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.066799 (E_RNA)
where:
Base-Base interactions energy: -29.859
where: short stacking energy: -24.624
Base-Backbone interact. energy: -0.015
local terms energy: -45.192789
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: 0.221
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: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -75.167562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.167562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.167562 (E_RNA)
where:
Base-Base interactions energy: -28.475
where: short stacking energy: -11.366
Base-Backbone interact. energy: -0.912
local terms energy: -45.780546
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.680
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: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -174.161302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.161302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.161302 (E_RNA)
where:
Base-Base interactions energy: -110.257
where: short stacking energy: -58.204
Base-Backbone interact. energy: -0.167
local terms energy: -63.738074
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -15.278
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: 80
Temperature: 0.950000
Total energy: -188.266344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.266344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.266344 (E_RNA)
where:
Base-Base interactions energy: -120.484
where: short stacking energy: -56.590
Base-Backbone interact. energy: -0.075
local terms energy: -67.707767
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -175.409364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.409364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.409364 (E_RNA)
where:
Base-Base interactions energy: -114.198
where: short stacking energy: -50.069
Base-Backbone interact. energy: -0.005
local terms energy: -61.206263
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -3.545
tors. eta vs tors. theta energy: -17.374
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: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -190.659217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.659217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.659217 (E_RNA)
where:
Base-Base interactions energy: -127.890
where: short stacking energy: -57.558
Base-Backbone interact. energy: -0.724
local terms energy: -62.044479
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -9.973
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -14.423
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: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -157.140185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.140185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.140185 (E_RNA)
where:
Base-Base interactions energy: -92.904
where: short stacking energy: -34.091
Base-Backbone interact. energy: -0.095
local terms energy: -64.141477
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -90.176779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.176779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.176779 (E_RNA)
where:
Base-Base interactions energy: -42.577
where: short stacking energy: -18.862
Base-Backbone interact. energy: -1.760
local terms energy: -45.838832
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: 0.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -92.361419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.361419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.361419 (E_RNA)
where:
Base-Base interactions energy: -39.944
where: short stacking energy: -34.776
Base-Backbone interact. energy: -0.228
local terms energy: -52.189438
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -9.299
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: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -81.180296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.180296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.180296 (E_RNA)
where:
Base-Base interactions energy: -25.216
where: short stacking energy: -25.216
Base-Backbone interact. energy: -0.108
local terms energy: -55.856338
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -12.225
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: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -77.440368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.440368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.440368 (E_RNA)
where:
Base-Base interactions energy: -36.033
where: short stacking energy: -25.633
Base-Backbone interact. energy: -0.145
local terms energy: -41.262677
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -5.393
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: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -73.700087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.700087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.700087 (E_RNA)
where:
Base-Base interactions energy: -33.068
where: short stacking energy: -27.841
Base-Backbone interact. energy: -0.264
local terms energy: -40.368477
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -8.968
flat angles P-C4'-P energy: -1.601
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: 81
Temperature: 0.900000
Total energy: -185.310926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.310926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.310926 (E_RNA)
where:
Base-Base interactions energy: -110.881
where: short stacking energy: -51.745
Base-Backbone interact. energy: -0.002
local terms energy: -74.427721
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -14.528
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: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -176.849699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.849699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.849699 (E_RNA)
where:
Base-Base interactions energy: -109.460
where: short stacking energy: -51.239
Base-Backbone interact. energy: -0.143
local terms energy: -67.247183
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -201.449053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.449053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.449053 (E_RNA)
where:
Base-Base interactions energy: -132.749
where: short stacking energy: -54.712
Base-Backbone interact. energy: -0.008
local terms energy: -68.691679
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -191.845258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.845258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.845258 (E_RNA)
where:
Base-Base interactions energy: -128.567
where: short stacking energy: -53.833
Base-Backbone interact. energy: -0.023
local terms energy: -63.255480
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -16.657
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: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -152.716663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.716663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.716663 (E_RNA)
where:
Base-Base interactions energy: -86.568
where: short stacking energy: -48.074
Base-Backbone interact. energy: -0.166
local terms energy: -65.982844
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -12.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -93.601004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.601004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.601004 (E_RNA)
where:
Base-Base interactions energy: -35.496
where: short stacking energy: -35.496
Base-Backbone interact. energy: -0.090
local terms energy: -58.014399
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -127.962293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.962293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.962293 (E_RNA)
where:
Base-Base interactions energy: -79.531
where: short stacking energy: -47.427
Base-Backbone interact. energy: -0.249
local terms energy: -48.181742
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -76.962876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.962876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.962876 (E_RNA)
where:
Base-Base interactions energy: -28.314
where: short stacking energy: -26.260
Base-Backbone interact. energy: -0.227
local terms energy: -48.422167
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -75.009988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.009988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.009988 (E_RNA)
where:
Base-Base interactions energy: -37.093
where: short stacking energy: -36.177
Base-Backbone interact. energy: 0.282
local terms energy: -38.199372
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -0.189
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: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -84.973922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.973922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.973922 (E_RNA)
where:
Base-Base interactions energy: -41.231
where: short stacking energy: -31.008
Base-Backbone interact. energy: -0.009
local terms energy: -43.734033
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -5.863
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: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -185.173876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.173876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.173876 (E_RNA)
where:
Base-Base interactions energy: -112.990
where: short stacking energy: -59.807
Base-Backbone interact. energy: -0.004
local terms energy: -72.179477
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -176.926550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.926550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.926550 (E_RNA)
where:
Base-Base interactions energy: -114.185
where: short stacking energy: -54.372
Base-Backbone interact. energy: -0.047
local terms energy: -62.693991
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -203.199537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.199537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.199537 (E_RNA)
where:
Base-Base interactions energy: -130.935
where: short stacking energy: -67.558
Base-Backbone interact. energy: -0.091
local terms energy: -72.173236
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -183.750192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.750192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.750192 (E_RNA)
where:
Base-Base interactions energy: -117.054
where: short stacking energy: -58.423
Base-Backbone interact. energy: -0.100
local terms energy: -66.596113
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -16.112
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: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -152.257828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.257828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.257828 (E_RNA)
where:
Base-Base interactions energy: -88.936
where: short stacking energy: -45.947
Base-Backbone interact. energy: -0.001
local terms energy: -63.320804
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -13.764
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: 82
Temperature: 1.150000
Total energy: -107.219380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.219380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.219380 (E_RNA)
where:
Base-Base interactions energy: -59.125
where: short stacking energy: -28.956
Base-Backbone interact. energy: -0.128
local terms energy: -47.966263
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -118.556890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.556890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.556890 (E_RNA)
where:
Base-Base interactions energy: -69.069
where: short stacking energy: -32.304
Base-Backbone interact. energy: -0.462
local terms energy: -49.025791
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -6.867
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -9.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -78.003492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.003492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.003492 (E_RNA)
where:
Base-Base interactions energy: -27.790
where: short stacking energy: -19.472
Base-Backbone interact. energy: -0.378
local terms energy: -49.835442
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: 0.735
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: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -81.673788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.673788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.673788 (E_RNA)
where:
Base-Base interactions energy: -41.662
where: short stacking energy: -26.315
Base-Backbone interact. energy: -0.062
local terms energy: -39.949646
where:
bonds (distance) C4'-P energy: -7.849
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -6.982
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: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -81.093420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.093420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.093420 (E_RNA)
where:
Base-Base interactions energy: -36.531
where: short stacking energy: -30.512
Base-Backbone interact. energy: -0.162
local terms energy: -44.400516
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -1.734
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -182.724773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.724773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.724773 (E_RNA)
where:
Base-Base interactions energy: -115.417
where: short stacking energy: -54.199
Base-Backbone interact. energy: -0.249
local terms energy: -67.059527
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -6.693
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: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -202.765798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.765798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.765798 (E_RNA)
where:
Base-Base interactions energy: -126.565
where: short stacking energy: -59.657
Base-Backbone interact. energy: -0.031
local terms energy: -76.169780
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -174.701834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.701834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.701834 (E_RNA)
where:
Base-Base interactions energy: -105.722
where: short stacking energy: -44.216
Base-Backbone interact. energy: -0.113
local terms energy: -68.866841
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -14.209
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: 83
Temperature: 1.050000
Total energy: -170.797726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.797726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.797726 (E_RNA)
where:
Base-Base interactions energy: -112.144
where: short stacking energy: -49.195
Base-Backbone interact. energy: -0.066
local terms energy: -58.587612
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -11.351
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: 5, replica: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -167.915827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.915827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.915827 (E_RNA)
where:
Base-Base interactions energy: -103.987
where: short stacking energy: -49.550
Base-Backbone interact. energy: -0.043
local terms energy: -63.885373
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -12.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -97.304877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.304877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.304877 (E_RNA)
where:
Base-Base interactions energy: -45.999
where: short stacking energy: -41.857
Base-Backbone interact. energy: 0.149
local terms energy: -51.455749
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -4.136
tors. eta vs tors. theta energy: -8.264
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: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -85.185356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.185356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.185356 (E_RNA)
where:
Base-Base interactions energy: -36.220
where: short stacking energy: -36.220
Base-Backbone interact. energy: -0.114
local terms energy: -48.851227
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -84.847582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.847582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.847582 (E_RNA)
where:
Base-Base interactions energy: -41.660
where: short stacking energy: -20.848
Base-Backbone interact. energy: -0.348
local terms energy: -42.839773
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -8.539
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: 9, replica: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -79.846974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.846974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.846974 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -19.956
Base-Backbone interact. energy: 0.195
local terms energy: -42.805034
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -6.310
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: 1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -75.760175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.760175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.760175 (E_RNA)
where:
Base-Base interactions energy: -26.226
where: short stacking energy: -20.575
Base-Backbone interact. energy: -0.423
local terms energy: -49.110926
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -6.369
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: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -192.137715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.137715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.137715 (E_RNA)
where:
Base-Base interactions energy: -123.639
where: short stacking energy: -63.751
Base-Backbone interact. energy: 0.527
local terms energy: -69.025366
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -16.990
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: 2, replica: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -188.506270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.506270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.506270 (E_RNA)
where:
Base-Base interactions energy: -116.398
where: short stacking energy: -60.407
Base-Backbone interact. energy: -0.001
local terms energy: -72.106989
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -179.746631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.746631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.746631 (E_RNA)
where:
Base-Base interactions energy: -113.640
where: short stacking energy: -51.313
Base-Backbone interact. energy: -0.179
local terms energy: -65.928270
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -176.817142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.817142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.817142 (E_RNA)
where:
Base-Base interactions energy: -117.301
where: short stacking energy: -51.230
Base-Backbone interact. energy: -0.120
local terms energy: -59.396048
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -13.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -170.525857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.525857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.525857 (E_RNA)
where:
Base-Base interactions energy: -102.438
where: short stacking energy: -47.921
Base-Backbone interact. energy: -0.800
local terms energy: -67.287712
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -14.423
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: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -93.331137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.331137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.331137 (E_RNA)
where:
Base-Base interactions energy: -50.205
where: short stacking energy: -29.151
Base-Backbone interact. energy: -0.228
local terms energy: -42.898267
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -81.100861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.100861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.100861 (E_RNA)
where:
Base-Base interactions energy: -35.396
where: short stacking energy: -31.567
Base-Backbone interact. energy: 0.049
local terms energy: -45.754104
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -85.590487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.590487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.590487 (E_RNA)
where:
Base-Base interactions energy: -38.196
where: short stacking energy: -37.567
Base-Backbone interact. energy: -0.012
local terms energy: -47.382191
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -78.407566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.407566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.407566 (E_RNA)
where:
Base-Base interactions energy: -34.757
where: short stacking energy: -32.455
Base-Backbone interact. energy: -0.043
local terms energy: -43.606891
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -8.410
flat angles C4'-P-C4' energy: -6.943
flat angles P-C4'-P energy: -7.456
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: 10, replica: 3
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -73.413672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.413672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.413672 (E_RNA)
where:
Base-Base interactions energy: -25.100
where: short stacking energy: -15.243
Base-Backbone interact. energy: -0.236
local terms energy: -48.078070
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -206.951860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.951860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.951860 (E_RNA)
where:
Base-Base interactions energy: -135.457
where: short stacking energy: -61.920
Base-Backbone interact. energy: -0.001
local terms energy: -71.494047
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -19.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -178.775324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.775324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.775324 (E_RNA)
where:
Base-Base interactions energy: -113.549
where: short stacking energy: -47.332
Base-Backbone interact. energy: -0.058
local terms energy: -65.168998
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -10.742
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: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -178.864318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.864318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.864318 (E_RNA)
where:
Base-Base interactions energy: -113.156
where: short stacking energy: -46.581
Base-Backbone interact. energy: -0.142
local terms energy: -65.566318
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -156.025018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.025018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.025018 (E_RNA)
where:
Base-Base interactions energy: -95.114
where: short stacking energy: -46.467
Base-Backbone interact. energy: -0.053
local terms energy: -60.858196
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -13.439
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: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -161.137246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.137246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.137246 (E_RNA)
where:
Base-Base interactions energy: -95.120
where: short stacking energy: -42.477
Base-Backbone interact. energy: -0.289
local terms energy: -65.728821
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -11.858
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: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -113.780959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.780959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.780959 (E_RNA)
where:
Base-Base interactions energy: -73.814
where: short stacking energy: -28.610
Base-Backbone interact. energy: -0.223
local terms energy: -39.744162
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -1.726
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: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -92.470001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.470001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.470001 (E_RNA)
where:
Base-Base interactions energy: -37.146
where: short stacking energy: -34.887
Base-Backbone interact. energy: 1.414
local terms energy: -56.738766
where:
bonds (distance) C4'-P energy: -8.046
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -8.581
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: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -74.786166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.786166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.786166 (E_RNA)
where:
Base-Base interactions energy: -23.772
where: short stacking energy: -17.123
Base-Backbone interact. energy: -0.288
local terms energy: -50.725999
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -77.909814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.909814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.909814 (E_RNA)
where:
Base-Base interactions energy: -27.098
where: short stacking energy: -27.098
Base-Backbone interact. energy: 0.144
local terms energy: -50.956119
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -72.421075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.421075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.421075 (E_RNA)
where:
Base-Base interactions energy: -24.477
where: short stacking energy: -22.525
Base-Backbone interact. energy: 1.477
local terms energy: -49.422041
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -10.666
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: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -205.758622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.758622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.758622 (E_RNA)
where:
Base-Base interactions energy: -136.923
where: short stacking energy: -61.544
Base-Backbone interact. energy: 0.719
local terms energy: -69.555021
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -202.400649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.400649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.400649 (E_RNA)
where:
Base-Base interactions energy: -136.683
where: short stacking energy: -60.135
Base-Backbone interact. energy: -0.004
local terms energy: -65.713889
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -178.239222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.239222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.239222 (E_RNA)
where:
Base-Base interactions energy: -120.936
where: short stacking energy: -49.436
Base-Backbone interact. energy: 0.200
local terms energy: -57.502946
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -4.185
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: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -164.250307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.250307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.250307 (E_RNA)
where:
Base-Base interactions energy: -104.025
where: short stacking energy: -56.649
Base-Backbone interact. energy: 0.248
local terms energy: -60.473149
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -159.760115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.760115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.760115 (E_RNA)
where:
Base-Base interactions energy: -101.417
where: short stacking energy: -42.154
Base-Backbone interact. energy: -0.238
local terms energy: -58.104911
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -111.920741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.920741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.920741 (E_RNA)
where:
Base-Base interactions energy: -62.305
where: short stacking energy: -29.656
Base-Backbone interact. energy: 0.354
local terms energy: -49.970156
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -85.584756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.584756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.584756 (E_RNA)
where:
Base-Base interactions energy: -32.737
where: short stacking energy: -31.046
Base-Backbone interact. energy: 2.281
local terms energy: -55.129285
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -84.630599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.630599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.630599 (E_RNA)
where:
Base-Base interactions energy: -39.370
where: short stacking energy: -20.871
Base-Backbone interact. energy: -0.147
local terms energy: -45.113558
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -86.505409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.505409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.505409 (E_RNA)
where:
Base-Base interactions energy: -34.623
where: short stacking energy: -20.311
Base-Backbone interact. energy: -0.851
local terms energy: -51.031837
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -9.022
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -8.992
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: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -85.960844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.960844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.960844 (E_RNA)
where:
Base-Base interactions energy: -35.760
where: short stacking energy: -35.557
Base-Backbone interact. energy: -0.094
local terms energy: -50.106371
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -193.856715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.856715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.856715 (E_RNA)
where:
Base-Base interactions energy: -131.390
where: short stacking energy: -57.244
Base-Backbone interact. energy: -0.426
local terms energy: -62.041039
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -195.066673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.066673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.066673 (E_RNA)
where:
Base-Base interactions energy: -126.348
where: short stacking energy: -50.368
Base-Backbone interact. energy: -0.091
local terms energy: -68.627637
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -17.112
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: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -192.359309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.359309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.359309 (E_RNA)
where:
Base-Base interactions energy: -126.230
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.036
local terms energy: -66.093094
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -14.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -168.283157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.283157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.283157 (E_RNA)
where:
Base-Base interactions energy: -100.764
where: short stacking energy: -55.745
Base-Backbone interact. energy: 1.061
local terms energy: -68.579652
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -147.594568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.594568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.594568 (E_RNA)
where:
Base-Base interactions energy: -89.273
where: short stacking energy: -44.535
Base-Backbone interact. energy: -0.082
local terms energy: -58.239707
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -96.219554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.219554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.219554 (E_RNA)
where:
Base-Base interactions energy: -42.649
where: short stacking energy: -31.384
Base-Backbone interact. energy: 0.177
local terms energy: -53.746982
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -8.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -135.448730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.448730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.448730 (E_RNA)
where:
Base-Base interactions energy: -84.635
where: short stacking energy: -35.804
Base-Backbone interact. energy: -0.028
local terms energy: -50.785526
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -86.418273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.418273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.418273 (E_RNA)
where:
Base-Base interactions energy: -36.737
where: short stacking energy: -29.874
Base-Backbone interact. energy: -0.318
local terms energy: -49.363446
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -5.656
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: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -80.579505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.579505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.579505 (E_RNA)
where:
Base-Base interactions energy: -33.355
where: short stacking energy: -29.999
Base-Backbone interact. energy: -0.077
local terms energy: -47.147848
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -8.154
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -3.415
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: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -77.285759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.285759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.285759 (E_RNA)
where:
Base-Base interactions energy: -34.304
where: short stacking energy: -30.476
Base-Backbone interact. energy: -0.083
local terms energy: -42.898965
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -7.593
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: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -191.339239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.339239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.339239 (E_RNA)
where:
Base-Base interactions energy: -122.474
where: short stacking energy: -55.593
Base-Backbone interact. energy: -0.085
local terms energy: -68.780148
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -175.019687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.019687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.019687 (E_RNA)
where:
Base-Base interactions energy: -106.695
where: short stacking energy: -43.859
Base-Backbone interact. energy: -0.170
local terms energy: -68.154970
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -14.655
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: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -186.990664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.990664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.990664 (E_RNA)
where:
Base-Base interactions energy: -119.649
where: short stacking energy: -56.582
Base-Backbone interact. energy: -0.660
local terms energy: -66.682198
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -147.242273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.242273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.242273 (E_RNA)
where:
Base-Base interactions energy: -87.039
where: short stacking energy: -36.288
Base-Backbone interact. energy: -0.174
local terms energy: -60.029096
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -6.637
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: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -152.708215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.708215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.708215 (E_RNA)
where:
Base-Base interactions energy: -96.799
where: short stacking energy: -40.179
Base-Backbone interact. energy: -0.136
local terms energy: -55.772729
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -5.743
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -82.774442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.774442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.774442 (E_RNA)
where:
Base-Base interactions energy: -34.708
where: short stacking energy: -25.794
Base-Backbone interact. energy: -0.326
local terms energy: -47.741110
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: 1.270
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: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -92.922239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.922239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.922239 (E_RNA)
where:
Base-Base interactions energy: -43.466
where: short stacking energy: -31.909
Base-Backbone interact. energy: -0.554
local terms energy: -48.901882
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -98.973232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.973232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.973232 (E_RNA)
where:
Base-Base interactions energy: -51.909
where: short stacking energy: -17.208
Base-Backbone interact. energy: -0.168
local terms energy: -46.896404
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -9.220
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: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -72.805736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.805736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.805736 (E_RNA)
where:
Base-Base interactions energy: -29.888
where: short stacking energy: -22.444
Base-Backbone interact. energy: -1.226
local terms energy: -41.691152
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -3.911
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: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -74.644673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.644673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.644673 (E_RNA)
where:
Base-Base interactions energy: -27.539
where: short stacking energy: -24.192
Base-Backbone interact. energy: -0.447
local terms energy: -46.658269
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -181.809961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.809961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.809961 (E_RNA)
where:
Base-Base interactions energy: -113.931
where: short stacking energy: -55.406
Base-Backbone interact. energy: -0.048
local terms energy: -67.830951
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -209.907283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.907283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.907283 (E_RNA)
where:
Base-Base interactions energy: -136.105
where: short stacking energy: -60.147
Base-Backbone interact. energy: -0.101
local terms energy: -73.701479
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -172.071464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.071464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.071464 (E_RNA)
where:
Base-Base interactions energy: -113.540
where: short stacking energy: -42.665
Base-Backbone interact. energy: -0.099
local terms energy: -58.432405
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -13.488
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: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -168.472109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.472109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.472109 (E_RNA)
where:
Base-Base interactions energy: -109.729
where: short stacking energy: -39.737
Base-Backbone interact. energy: -0.321
local terms energy: -58.421645
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -7.442
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: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -158.929625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.929625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.929625 (E_RNA)
where:
Base-Base interactions energy: -97.942
where: short stacking energy: -40.134
Base-Backbone interact. energy: -0.002
local terms energy: -60.986259
where:
bonds (distance) C4'-P energy: -8.602
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -14.571
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: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -100.092806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.092806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.092806 (E_RNA)
where:
Base-Base interactions energy: -52.476
where: short stacking energy: -35.230
Base-Backbone interact. energy: -0.389
local terms energy: -47.228252
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -7.663
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -94.514141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.514141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.514141 (E_RNA)
where:
Base-Base interactions energy: -37.774
where: short stacking energy: -32.569
Base-Backbone interact. energy: -0.065
local terms energy: -56.675557
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -7.707
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: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -85.809883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.809883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.809883 (E_RNA)
where:
Base-Base interactions energy: -38.391
where: short stacking energy: -20.151
Base-Backbone interact. energy: 0.454
local terms energy: -47.872710
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -78.351607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.351607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.351607 (E_RNA)
where:
Base-Base interactions energy: -25.793
where: short stacking energy: -25.793
Base-Backbone interact. energy: -0.106
local terms energy: -52.453053
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -3.672
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: 2
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -81.365153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.365153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.365153 (E_RNA)
where:
Base-Base interactions energy: -27.275
where: short stacking energy: -23.975
Base-Backbone interact. energy: 0.738
local terms energy: -54.827680
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -9.651
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: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -206.942705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.942705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.942705 (E_RNA)
where:
Base-Base interactions energy: -134.670
where: short stacking energy: -57.004
Base-Backbone interact. energy: -0.539
local terms energy: -71.733750
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -187.898236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.898236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.898236 (E_RNA)
where:
Base-Base interactions energy: -121.668
where: short stacking energy: -50.805
Base-Backbone interact. energy: -0.274
local terms energy: -65.955972
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -6.247
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: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -171.712089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.712089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.712089 (E_RNA)
where:
Base-Base interactions energy: -107.658
where: short stacking energy: -43.030
Base-Backbone interact. energy: -0.374
local terms energy: -63.679594
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -12.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -171.908618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.908618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.908618 (E_RNA)
where:
Base-Base interactions energy: -112.801
where: short stacking energy: -44.907
Base-Backbone interact. energy: 0.817
local terms energy: -59.924685
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -6.636
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: 5, replica: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -116.015832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.015832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.015832 (E_RNA)
where:
Base-Base interactions energy: -57.649
where: short stacking energy: -36.161
Base-Backbone interact. energy: 0.377
local terms energy: -58.743634
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -1.633
tors. eta vs tors. theta energy: -11.398
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: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -151.591056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.591056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.591056 (E_RNA)
where:
Base-Base interactions energy: -95.037
where: short stacking energy: -41.980
Base-Backbone interact. energy: -0.001
local terms energy: -56.552832
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -5.719
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -87.084145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.084145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.084145 (E_RNA)
where:
Base-Base interactions energy: -31.216
where: short stacking energy: -24.601
Base-Backbone interact. energy: -0.065
local terms energy: -55.803876
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -86.139188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.139188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.139188 (E_RNA)
where:
Base-Base interactions energy: -42.956
where: short stacking energy: -26.684
Base-Backbone interact. energy: -0.148
local terms energy: -43.035138
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -6.654
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: 9, replica: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -80.841504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.841504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.841504 (E_RNA)
where:
Base-Base interactions energy: -36.892
where: short stacking energy: -30.304
Base-Backbone interact. energy: -0.053
local terms energy: -43.896844
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -8.556
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -5.500
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: 10, replica: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -73.440230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.440230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.440230 (E_RNA)
where:
Base-Base interactions energy: -33.124
where: short stacking energy: -25.391
Base-Backbone interact. energy: -0.534
local terms energy: -39.782179
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -5.725
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -209.386958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.386958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.386958 (E_RNA)
where:
Base-Base interactions energy: -139.585
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.054
local terms energy: -69.748281
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -19.235
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: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -170.497870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.497870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.497870 (E_RNA)
where:
Base-Base interactions energy: -105.802
where: short stacking energy: -53.021
Base-Backbone interact. energy: -0.076
local terms energy: -64.620480
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -180.512321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.512321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.512321 (E_RNA)
where:
Base-Base interactions energy: -118.932
where: short stacking energy: -44.607
Base-Backbone interact. energy: -0.114
local terms energy: -61.467000
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -177.072943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.072943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.072943 (E_RNA)
where:
Base-Base interactions energy: -107.249
where: short stacking energy: -49.220
Base-Backbone interact. energy: -0.054
local terms energy: -69.770253
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -13.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -129.705054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.705054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.705054 (E_RNA)
where:
Base-Base interactions energy: -74.077
where: short stacking energy: -46.388
Base-Backbone interact. energy: -0.011
local terms energy: -55.616940
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -8.191
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -169.433466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.433466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.433466 (E_RNA)
where:
Base-Base interactions energy: -102.599
where: short stacking energy: -51.604
Base-Backbone interact. energy: -0.504
local terms energy: -66.330949
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -84.871453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.871453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.871453 (E_RNA)
where:
Base-Base interactions energy: -31.141
where: short stacking energy: -31.141
Base-Backbone interact. energy: -0.026
local terms energy: -53.705088
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -11.164
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: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -78.914512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.914512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.914512 (E_RNA)
where:
Base-Base interactions energy: -36.878
where: short stacking energy: -14.958
Base-Backbone interact. energy: -1.196
local terms energy: -40.840529
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -4.818
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: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -79.725991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.725991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.725991 (E_RNA)
where:
Base-Base interactions energy: -29.478
where: short stacking energy: -29.478
Base-Backbone interact. energy: 0.674
local terms energy: -50.921359
where:
bonds (distance) C4'-P energy: -8.105
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -88.255802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.255802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.255802 (E_RNA)
where:
Base-Base interactions energy: -33.644
where: short stacking energy: -32.881
Base-Backbone interact. energy: -0.174
local terms energy: -54.437545
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -4.305
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: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -210.686464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.686464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.686464 (E_RNA)
where:
Base-Base interactions energy: -140.360
where: short stacking energy: -62.609
Base-Backbone interact. energy: -0.001
local terms energy: -70.326083
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -183.311538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.311538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.311538 (E_RNA)
where:
Base-Base interactions energy: -116.839
where: short stacking energy: -59.928
Base-Backbone interact. energy: -0.000
local terms energy: -66.471912
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -193.158051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.158051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.158051 (E_RNA)
where:
Base-Base interactions energy: -125.969
where: short stacking energy: -56.046
Base-Backbone interact. energy: 1.516
local terms energy: -68.705455
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -14.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -172.370376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.370376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.370376 (E_RNA)
where:
Base-Base interactions energy: -106.526
where: short stacking energy: -49.831
Base-Backbone interact. energy: -0.011
local terms energy: -65.832840
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -172.420540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.420540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.420540 (E_RNA)
where:
Base-Base interactions energy: -106.467
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.818
local terms energy: -65.135578
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -121.943612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.943612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.943612 (E_RNA)
where:
Base-Base interactions energy: -71.163
where: short stacking energy: -28.693
Base-Backbone interact. energy: -0.191
local terms energy: -50.590358
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -7.288
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -140.652691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.652691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.652691 (E_RNA)
where:
Base-Base interactions energy: -85.395
where: short stacking energy: -37.794
Base-Backbone interact. energy: -0.020
local terms energy: -55.237369
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -10.754
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: 3
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -73.878406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.878406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.878406 (E_RNA)
where:
Base-Base interactions energy: -25.987
where: short stacking energy: -21.449
Base-Backbone interact. energy: 1.026
local terms energy: -48.917092
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -4.889
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: 9, replica: 2
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -76.704481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.704481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.704481 (E_RNA)
where:
Base-Base interactions energy: -25.069
where: short stacking energy: -22.424
Base-Backbone interact. energy: -0.095
local terms energy: -51.540359
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -73.060258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.060258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.060258 (E_RNA)
where:
Base-Base interactions energy: -29.546
where: short stacking energy: -20.543
Base-Backbone interact. energy: -0.238
local terms energy: -43.276781
where:
bonds (distance) C4'-P energy: -8.610
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -9.155
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: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -220.318824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.318824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.318824 (E_RNA)
where:
Base-Base interactions energy: -145.793
where: short stacking energy: -59.626
Base-Backbone interact. energy: -0.337
local terms energy: -74.189573
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -3.968
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -179.960393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.960393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.960393 (E_RNA)
where:
Base-Base interactions energy: -111.478
where: short stacking energy: -48.513
Base-Backbone interact. energy: -0.036
local terms energy: -68.446123
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -184.997546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.997546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.997546 (E_RNA)
where:
Base-Base interactions energy: -117.738
where: short stacking energy: -55.469
Base-Backbone interact. energy: -0.176
local terms energy: -67.083494
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -15.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -179.541934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.541934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.541934 (E_RNA)
where:
Base-Base interactions energy: -115.772
where: short stacking energy: -52.786
Base-Backbone interact. energy: -0.010
local terms energy: -63.760103
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -16.110
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: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -167.290291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.290291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.290291 (E_RNA)
where:
Base-Base interactions energy: -101.524
where: short stacking energy: -57.799
Base-Backbone interact. energy: 0.149
local terms energy: -65.915302
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -131.487547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.487547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.487547 (E_RNA)
where:
Base-Base interactions energy: -76.919
where: short stacking energy: -37.652
Base-Backbone interact. energy: -0.099
local terms energy: -54.469733
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -6.040
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: 7, replica: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -123.244337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.244337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.244337 (E_RNA)
where:
Base-Base interactions energy: -76.573
where: short stacking energy: -25.761
Base-Backbone interact. energy: 1.440
local terms energy: -48.111008
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -9.349
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: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -79.163440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.163440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.163440 (E_RNA)
where:
Base-Base interactions energy: -35.219
where: short stacking energy: -22.432
Base-Backbone interact. energy: -0.103
local terms energy: -43.841565
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -1.081
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: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -86.186529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.186529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.186529 (E_RNA)
where:
Base-Base interactions energy: -43.127
where: short stacking energy: -33.159
Base-Backbone interact. energy: -0.086
local terms energy: -42.973638
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -7.604
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -4.357
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: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -73.600701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.600701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.600701 (E_RNA)
where:
Base-Base interactions energy: -29.713
where: short stacking energy: -29.713
Base-Backbone interact. energy: 0.351
local terms energy: -44.238717
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -7.690
flat angles P-C4'-P energy: -4.571
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: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -206.267490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.267490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.267490 (E_RNA)
where:
Base-Base interactions energy: -138.720
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.163
local terms energy: -67.384534
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -181.103551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.103551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.103551 (E_RNA)
where:
Base-Base interactions energy: -115.081
where: short stacking energy: -56.871
Base-Backbone interact. energy: -0.087
local terms energy: -65.935601
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -177.017789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.017789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.017789 (E_RNA)
where:
Base-Base interactions energy: -116.562
where: short stacking energy: -53.922
Base-Backbone interact. energy: -0.001
local terms energy: -60.454626
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -8.438
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -15.883
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: 4, replica: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -193.559677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.559677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.559677 (E_RNA)
where:
Base-Base interactions energy: -123.533
where: short stacking energy: -56.443
Base-Backbone interact. energy: 0.050
local terms energy: -70.077205
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -17.919
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: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -160.192423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.192423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.192423 (E_RNA)
where:
Base-Base interactions energy: -100.897
where: short stacking energy: -44.719
Base-Backbone interact. energy: -0.081
local terms energy: -59.214881
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -120.977659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.977659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.977659 (E_RNA)
where:
Base-Base interactions energy: -67.783
where: short stacking energy: -28.996
Base-Backbone interact. energy: 0.133
local terms energy: -53.327086
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -84.018890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.018890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.018890 (E_RNA)
where:
Base-Base interactions energy: -29.838
where: short stacking energy: -29.838
Base-Backbone interact. energy: 0.994
local terms energy: -55.174763
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -10.234
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: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -93.518696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.518696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.518696 (E_RNA)
where:
Base-Base interactions energy: -33.315
where: short stacking energy: -26.929
Base-Backbone interact. energy: -0.129
local terms energy: -60.074249
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -7.000
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: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -75.072402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.072402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.072402 (E_RNA)
where:
Base-Base interactions energy: -26.976
where: short stacking energy: -20.005
Base-Backbone interact. energy: -0.077
local terms energy: -48.019462
where:
bonds (distance) C4'-P energy: -10.378
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -74.196143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.196143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.196143 (E_RNA)
where:
Base-Base interactions energy: -18.859
where: short stacking energy: -18.820
Base-Backbone interact. energy: -0.076
local terms energy: -55.261208
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: 0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -206.313580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.313580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.313580 (E_RNA)
where:
Base-Base interactions energy: -132.524
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.073
local terms energy: -73.715912
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -19.560
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: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -181.656527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.656527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.656527 (E_RNA)
where:
Base-Base interactions energy: -115.371
where: short stacking energy: -50.609
Base-Backbone interact. energy: -0.012
local terms energy: -66.273504
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -15.536
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: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -183.015214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.015214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.015214 (E_RNA)
where:
Base-Base interactions energy: -112.489
where: short stacking energy: -54.453
Base-Backbone interact. energy: -0.096
local terms energy: -70.429484
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -18.404
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: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -201.874667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.874667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.874667 (E_RNA)
where:
Base-Base interactions energy: -133.508
where: short stacking energy: -59.467
Base-Backbone interact. energy: -0.082
local terms energy: -68.284026
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -156.905179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.905179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.905179 (E_RNA)
where:
Base-Base interactions energy: -99.250
where: short stacking energy: -34.873
Base-Backbone interact. energy: -0.135
local terms energy: -57.520211
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -11.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -142.934035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.934035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.934035 (E_RNA)
where:
Base-Base interactions energy: -86.938
where: short stacking energy: -42.640
Base-Backbone interact. energy: -0.112
local terms energy: -55.883781
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -1.332
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -92.552335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.552335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.552335 (E_RNA)
where:
Base-Base interactions energy: -41.048
where: short stacking energy: -32.015
Base-Backbone interact. energy: -0.003
local terms energy: -51.501201
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -96.765726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.765726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.765726 (E_RNA)
where:
Base-Base interactions energy: -51.096
where: short stacking energy: -31.831
Base-Backbone interact. energy: -0.196
local terms energy: -45.473289
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -9.370
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -3.871
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: 9, replica: 2
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -78.399133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.399133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.399133 (E_RNA)
where:
Base-Base interactions energy: -31.322
where: short stacking energy: -27.201
Base-Backbone interact. energy: -0.058
local terms energy: -47.018761
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -78.344004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.344004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.344004 (E_RNA)
where:
Base-Base interactions energy: -31.200
where: short stacking energy: -24.540
Base-Backbone interact. energy: 0.575
local terms energy: -47.719593
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -9.945
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -7.888
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: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -200.925829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.925829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.925829 (E_RNA)
where:
Base-Base interactions energy: -129.867
where: short stacking energy: -57.773
Base-Backbone interact. energy: -0.291
local terms energy: -70.767699
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -14.452
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: 96
Temperature: 0.950000
Total energy: -188.609629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.609629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.609629 (E_RNA)
where:
Base-Base interactions energy: -116.039
where: short stacking energy: -59.448
Base-Backbone interact. energy: -0.004
local terms energy: -72.566617
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -191.409152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.409152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.409152 (E_RNA)
where:
Base-Base interactions energy: -125.791
where: short stacking energy: -49.654
Base-Backbone interact. energy: -0.099
local terms energy: -65.519920
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -170.381882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.381882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.381882 (E_RNA)
where:
Base-Base interactions energy: -114.241
where: short stacking energy: -41.434
Base-Backbone interact. energy: -1.071
local terms energy: -55.069922
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -155.494422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.494422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.494422 (E_RNA)
where:
Base-Base interactions energy: -96.153
where: short stacking energy: -45.204
Base-Backbone interact. energy: -0.706
local terms energy: -58.635352
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -10.866
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: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -137.850955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.850955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.850955 (E_RNA)
where:
Base-Base interactions energy: -84.892
where: short stacking energy: -39.591
Base-Backbone interact. energy: -0.718
local terms energy: -52.241241
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -86.290779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.290779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.290779 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -28.902
Base-Backbone interact. energy: -0.066
local terms energy: -51.667427
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -77.204527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.204527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.204527 (E_RNA)
where:
Base-Base interactions energy: -38.259
where: short stacking energy: -22.258
Base-Backbone interact. energy: -0.452
local terms energy: -38.494122
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -6.959
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: 0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -73.319026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.319026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.319026 (E_RNA)
where:
Base-Base interactions energy: -29.183
where: short stacking energy: -29.183
Base-Backbone interact. energy: -0.135
local terms energy: -44.000942
where:
bonds (distance) C4'-P energy: -6.039
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -72.677745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.677745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.677745 (E_RNA)
where:
Base-Base interactions energy: -27.491
where: short stacking energy: -16.315
Base-Backbone interact. energy: 0.071
local terms energy: -45.257983
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: 2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -213.353131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.353131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.353131 (E_RNA)
where:
Base-Base interactions energy: -137.923
where: short stacking energy: -59.506
Base-Backbone interact. energy: 0.357
local terms energy: -75.786586
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -197.833710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.833710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.833710 (E_RNA)
where:
Base-Base interactions energy: -126.611
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.158
local terms energy: -71.064787
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -180.522545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.522545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.522545 (E_RNA)
where:
Base-Base interactions energy: -114.158
where: short stacking energy: -57.701
Base-Backbone interact. energy: -0.894
local terms energy: -65.471202
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -170.106154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.106154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.106154 (E_RNA)
where:
Base-Base interactions energy: -109.237
where: short stacking energy: -50.939
Base-Backbone interact. energy: 0.954
local terms energy: -61.823391
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -168.791606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.791606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.791606 (E_RNA)
where:
Base-Base interactions energy: -107.102
where: short stacking energy: -50.690
Base-Backbone interact. energy: -0.001
local terms energy: -61.688925
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -7.371
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: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -119.481686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.481686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.481686 (E_RNA)
where:
Base-Base interactions energy: -66.901
where: short stacking energy: -40.318
Base-Backbone interact. energy: -0.003
local terms energy: -52.577964
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -6.664
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: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -95.873824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.873824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.873824 (E_RNA)
where:
Base-Base interactions energy: -37.711
where: short stacking energy: -30.715
Base-Backbone interact. energy: 2.001
local terms energy: -60.163849
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -10.270
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: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -81.964013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.964013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.964013 (E_RNA)
where:
Base-Base interactions energy: -36.491
where: short stacking energy: -24.565
Base-Backbone interact. energy: -0.343
local terms energy: -45.129734
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -7.410
flat angles P-C4'-P energy: -4.879
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: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -83.219092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.219092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.219092 (E_RNA)
where:
Base-Base interactions energy: -34.211
where: short stacking energy: -25.859
Base-Backbone interact. energy: -0.196
local terms energy: -48.811659
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -5.167
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: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -73.194952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.194952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.194952 (E_RNA)
where:
Base-Base interactions energy: -22.018
where: short stacking energy: -18.256
Base-Backbone interact. energy: -0.185
local terms energy: -50.991620
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: 0.463
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: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -208.195508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.195508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.195508 (E_RNA)
where:
Base-Base interactions energy: -133.879
where: short stacking energy: -55.947
Base-Backbone interact. energy: -0.029
local terms energy: -74.288096
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -203.945769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.945769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.945769 (E_RNA)
where:
Base-Base interactions energy: -134.113
where: short stacking energy: -60.685
Base-Backbone interact. energy: -0.101
local terms energy: -69.732328
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -175.334043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.334043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.334043 (E_RNA)
where:
Base-Base interactions energy: -112.359
where: short stacking energy: -55.502
Base-Backbone interact. energy: -0.003
local terms energy: -62.971259
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -14.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -169.696210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.696210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.696210 (E_RNA)
where:
Base-Base interactions energy: -111.473
where: short stacking energy: -45.979
Base-Backbone interact. energy: -0.004
local terms energy: -58.219414
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -160.117309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.117309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.117309 (E_RNA)
where:
Base-Base interactions energy: -96.783
where: short stacking energy: -50.124
Base-Backbone interact. energy: -0.002
local terms energy: -63.332803
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -109.931752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.931752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.931752 (E_RNA)
where:
Base-Base interactions energy: -53.168
where: short stacking energy: -21.917
Base-Backbone interact. energy: -0.922
local terms energy: -55.841694
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -9.727
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: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -100.670481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.670481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.670481 (E_RNA)
where:
Base-Base interactions energy: -44.169
where: short stacking energy: -35.660
Base-Backbone interact. energy: -0.017
local terms energy: -56.485188
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -6.956
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: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -87.536742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.536742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.536742 (E_RNA)
where:
Base-Base interactions energy: -34.394
where: short stacking energy: -33.581
Base-Backbone interact. energy: -0.053
local terms energy: -53.089496
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -96.138819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.138819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.138819 (E_RNA)
where:
Base-Base interactions energy: -48.940
where: short stacking energy: -22.826
Base-Backbone interact. energy: 0.301
local terms energy: -47.499601
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -80.564094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.564094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.564094 (E_RNA)
where:
Base-Base interactions energy: -35.893
where: short stacking energy: -24.434
Base-Backbone interact. energy: -0.013
local terms energy: -44.658117
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -211.959108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.959108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.959108 (E_RNA)
where:
Base-Base interactions energy: -132.535
where: short stacking energy: -59.671
Base-Backbone interact. energy: 0.133
local terms energy: -79.557652
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -208.968204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.968204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.968204 (E_RNA)
where:
Base-Base interactions energy: -137.501
where: short stacking energy: -63.007
Base-Backbone interact. energy: -0.215
local terms energy: -71.252469
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -186.463840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.463840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.463840 (E_RNA)
where:
Base-Base interactions energy: -126.038
where: short stacking energy: -54.314
Base-Backbone interact. energy: 2.107
local terms energy: -62.532765
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -13.999
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: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -170.167716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.167716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.167716 (E_RNA)
where:
Base-Base interactions energy: -103.036
where: short stacking energy: -46.118
Base-Backbone interact. energy: -0.060
local terms energy: -67.071861
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -11.878
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: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -169.738742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.738742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.738742 (E_RNA)
where:
Base-Base interactions energy: -108.344
where: short stacking energy: -58.378
Base-Backbone interact. energy: -0.067
local terms energy: -61.327335
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -9.760
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -92.924607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.924607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.924607 (E_RNA)
where:
Base-Base interactions energy: -33.202
where: short stacking energy: -33.202
Base-Backbone interact. energy: -0.001
local terms energy: -59.721202
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -9.000
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: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -103.427767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.427767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.427767 (E_RNA)
where:
Base-Base interactions energy: -56.358
where: short stacking energy: -35.570
Base-Backbone interact. energy: -0.062
local terms energy: -47.008046
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -9.316
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -78.371040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.371040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.371040 (E_RNA)
where:
Base-Base interactions energy: -25.791
where: short stacking energy: -19.188
Base-Backbone interact. energy: 0.367
local terms energy: -52.947642
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -86.525490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.525490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.525490 (E_RNA)
where:
Base-Base interactions energy: -44.524
where: short stacking energy: -27.433
Base-Backbone interact. energy: 0.259
local terms energy: -42.260203
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -2.404
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: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -76.287813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.287813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.287813 (E_RNA)
where:
Base-Base interactions energy: -28.061
where: short stacking energy: -28.061
Base-Backbone interact. energy: 0.413
local terms energy: -48.639802
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -2.165
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: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -213.049478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.049478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.049478 (E_RNA)
where:
Base-Base interactions energy: -141.323
where: short stacking energy: -64.343
Base-Backbone interact. energy: -0.004
local terms energy: -71.722971
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -20.591
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: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -203.687835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.687835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.687835 (E_RNA)
where:
Base-Base interactions energy: -134.782
where: short stacking energy: -58.370
Base-Backbone interact. energy: -0.001
local terms energy: -68.904855
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -21.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -165.834099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.834099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.834099 (E_RNA)
where:
Base-Base interactions energy: -104.512
where: short stacking energy: -46.616
Base-Backbone interact. energy: -0.222
local terms energy: -61.100259
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: -12.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -179.351082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.351082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.351082 (E_RNA)
where:
Base-Base interactions energy: -122.202
where: short stacking energy: -49.221
Base-Backbone interact. energy: -0.006
local terms energy: -57.143282
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -11.034
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: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -169.487595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.487595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.487595 (E_RNA)
where:
Base-Base interactions energy: -111.750
where: short stacking energy: -51.128
Base-Backbone interact. energy: -0.151
local terms energy: -57.586458
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -13.063
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: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -82.473684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.473684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.473684 (E_RNA)
where:
Base-Base interactions energy: -35.245
where: short stacking energy: -35.245
Base-Backbone interact. energy: -0.074
local terms energy: -47.154023
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -5.591
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -5.637
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: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -93.467453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.467453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.467453 (E_RNA)
where:
Base-Base interactions energy: -41.730
where: short stacking energy: -23.319
Base-Backbone interact. energy: -0.054
local terms energy: -51.683118
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -77.761902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.761902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.761902 (E_RNA)
where:
Base-Base interactions energy: -25.652
where: short stacking energy: -17.611
Base-Backbone interact. energy: -0.887
local terms energy: -51.223377
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: 0.081
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: 100
Temperature: 1.300000
Total energy: -78.684794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.684794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.684794 (E_RNA)
where:
Base-Base interactions energy: -30.353
where: short stacking energy: -30.353
Base-Backbone interact. energy: -0.101
local terms energy: -48.230650
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -7.960
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: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -76.385611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.385611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.385611 (E_RNA)
where:
Base-Base interactions energy: -34.259
where: short stacking energy: -28.424
Base-Backbone interact. energy: -0.018
local terms energy: -42.108423
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -8.630
flat angles C4'-P-C4' energy: -6.736
flat angles P-C4'-P energy: -11.160
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: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -204.217472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.217472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.217472 (E_RNA)
where:
Base-Base interactions energy: -133.951
where: short stacking energy: -62.884
Base-Backbone interact. energy: -0.015
local terms energy: -70.251923
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -16.850
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: 101
Temperature: 0.950000
Total energy: -207.667061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.667061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.667061 (E_RNA)
where:
Base-Base interactions energy: -138.916
where: short stacking energy: -52.261
Base-Backbone interact. energy: -0.054
local terms energy: -68.697130
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -164.794333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.794333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.794333 (E_RNA)
where:
Base-Base interactions energy: -101.250
where: short stacking energy: -41.102
Base-Backbone interact. energy: 0.306
local terms energy: -63.850560
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -174.342767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.342767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.342767 (E_RNA)
where:
Base-Base interactions energy: -112.613
where: short stacking energy: -54.302
Base-Backbone interact. energy: -0.048
local terms energy: -61.681221
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -4.552
tors. eta vs tors. theta energy: -14.543
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: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -162.612035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.612035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.612035 (E_RNA)
where:
Base-Base interactions energy: -112.432
where: short stacking energy: -49.643
Base-Backbone interact. energy: 0.137
local terms energy: -50.316919
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -1.456
tors. eta vs tors. theta energy: -13.783
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: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -99.831817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.831817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.831817 (E_RNA)
where:
Base-Base interactions energy: -41.286
where: short stacking energy: -41.286
Base-Backbone interact. energy: -0.033
local terms energy: -58.512457
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -92.605623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.605623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.605623 (E_RNA)
where:
Base-Base interactions energy: -37.033
where: short stacking energy: -30.780
Base-Backbone interact. energy: -0.024
local terms energy: -55.549114
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -86.009547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.009547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.009547 (E_RNA)
where:
Base-Base interactions energy: -35.458
where: short stacking energy: -35.458
Base-Backbone interact. energy: -0.031
local terms energy: -50.520426
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -4.990
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: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -72.867306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.867306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.867306 (E_RNA)
where:
Base-Base interactions energy: -28.316
where: short stacking energy: -25.172
Base-Backbone interact. energy: -2.362
local terms energy: -42.189253
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -74.458891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.458891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.458891 (E_RNA)
where:
Base-Base interactions energy: -25.710
where: short stacking energy: -24.480
Base-Backbone interact. energy: -0.878
local terms energy: -47.871027
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -5.516
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: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -209.613325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.613325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.613325 (E_RNA)
where:
Base-Base interactions energy: -141.173
where: short stacking energy: -60.996
Base-Backbone interact. energy: 1.054
local terms energy: -69.494285
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -200.764524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.764524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.764524 (E_RNA)
where:
Base-Base interactions energy: -133.424
where: short stacking energy: -60.957
Base-Backbone interact. energy: -0.100
local terms energy: -67.240070
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -15.370
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: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -164.296279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.296279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.296279 (E_RNA)
where:
Base-Base interactions energy: -95.319
where: short stacking energy: -60.169
Base-Backbone interact. energy: -0.172
local terms energy: -68.805381
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -15.771
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: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -172.550837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.550837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.550837 (E_RNA)
where:
Base-Base interactions energy: -104.298
where: short stacking energy: -47.311
Base-Backbone interact. energy: -0.427
local terms energy: -67.825468
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -11.063
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: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -169.620347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.620347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.620347 (E_RNA)
where:
Base-Base interactions energy: -107.816
where: short stacking energy: -50.281
Base-Backbone interact. energy: -0.780
local terms energy: -61.024683
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -15.924
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: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -84.602329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.602329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.602329 (E_RNA)
where:
Base-Base interactions energy: -35.808
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.187
local terms energy: -48.607580
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -8.012
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: 7, replica: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -98.832307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.832307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.832307 (E_RNA)
where:
Base-Base interactions energy: -39.977
where: short stacking energy: -32.329
Base-Backbone interact. energy: -0.069
local terms energy: -58.786370
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -9.742
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: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -89.029239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.029239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.029239 (E_RNA)
where:
Base-Base interactions energy: -36.399
where: short stacking energy: -23.207
Base-Backbone interact. energy: -0.311
local terms energy: -52.319699
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -80.269119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.269119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.269119 (E_RNA)
where:
Base-Base interactions energy: -31.001
where: short stacking energy: -23.582
Base-Backbone interact. energy: -0.132
local terms energy: -49.136347
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -6.495
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: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -73.798738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.798738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.798738 (E_RNA)
where:
Base-Base interactions energy: -33.200
where: short stacking energy: -33.200
Base-Backbone interact. energy: -0.366
local terms energy: -40.232987
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -3.340
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -209.311368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.311368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.311368 (E_RNA)
where:
Base-Base interactions energy: -134.174
where: short stacking energy: -54.202
Base-Backbone interact. energy: -0.031
local terms energy: -75.106040
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -200.110199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.110199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.110199 (E_RNA)
where:
Base-Base interactions energy: -131.283
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.000
local terms energy: -68.826760
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -18.218
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: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -164.211050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.211050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.211050 (E_RNA)
where:
Base-Base interactions energy: -97.211
where: short stacking energy: -44.376
Base-Backbone interact. energy: 0.204
local terms energy: -67.204746
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -14.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -169.592818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.592818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.592818 (E_RNA)
where:
Base-Base interactions energy: -109.034
where: short stacking energy: -40.071
Base-Backbone interact. energy: -0.378
local terms energy: -60.180152
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -9.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -156.836018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.836018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.836018 (E_RNA)
where:
Base-Base interactions energy: -108.192
where: short stacking energy: -34.395
Base-Backbone interact. energy: -0.177
local terms energy: -48.466794
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -103.264637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.264637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.264637 (E_RNA)
where:
Base-Base interactions energy: -45.992
where: short stacking energy: -40.672
Base-Backbone interact. energy: -0.036
local terms energy: -57.236427
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -8.005
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: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -93.572920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.572920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.572920 (E_RNA)
where:
Base-Base interactions energy: -47.298
where: short stacking energy: -36.754
Base-Backbone interact. energy: -0.056
local terms energy: -46.219167
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -7.010
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -73.223498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.223498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.223498 (E_RNA)
where:
Base-Base interactions energy: -29.424
where: short stacking energy: -27.836
Base-Backbone interact. energy: -0.300
local terms energy: -43.499130
where:
bonds (distance) C4'-P energy: -5.720
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -8.293
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: 9, replica: 2
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -79.649415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.649415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.649415 (E_RNA)
where:
Base-Base interactions energy: -36.319
where: short stacking energy: -27.746
Base-Backbone interact. energy: -0.137
local terms energy: -43.192870
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -6.706
flat angles P-C4'-P energy: -7.765
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: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -75.859250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.859250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.859250 (E_RNA)
where:
Base-Base interactions energy: -31.177
where: short stacking energy: -11.553
Base-Backbone interact. energy: -0.346
local terms energy: -44.336380
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -5.189
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: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -209.156167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.156167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.156167 (E_RNA)
where:
Base-Base interactions energy: -135.304
where: short stacking energy: -59.648
Base-Backbone interact. energy: -0.123
local terms energy: -73.729313
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -201.265368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.265368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.265368 (E_RNA)
where:
Base-Base interactions energy: -126.350
where: short stacking energy: -66.739
Base-Backbone interact. energy: -0.005
local terms energy: -74.910333
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -16.944
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: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -170.289002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.289002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.289002 (E_RNA)
where:
Base-Base interactions energy: -105.496
where: short stacking energy: -44.261
Base-Backbone interact. energy: -0.331
local terms energy: -64.462262
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -157.202783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.202783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.202783 (E_RNA)
where:
Base-Base interactions energy: -94.764
where: short stacking energy: -46.850
Base-Backbone interact. energy: 0.121
local terms energy: -62.559615
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -13.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -168.430871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.430871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.430871 (E_RNA)
where:
Base-Base interactions energy: -108.723
where: short stacking energy: -53.025
Base-Backbone interact. energy: -0.008
local terms energy: -59.699505
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -96.060637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.060637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.060637 (E_RNA)
where:
Base-Base interactions energy: -36.231
where: short stacking energy: -36.142
Base-Backbone interact. energy: -0.011
local terms energy: -59.818931
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -10.751
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: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -109.459142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.459142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.459142 (E_RNA)
where:
Base-Base interactions energy: -58.861
where: short stacking energy: -38.533
Base-Backbone interact. energy: -0.234
local terms energy: -50.363538
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -8.927
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -8.916
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: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -73.805144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.805144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.805144 (E_RNA)
where:
Base-Base interactions energy: -31.416
where: short stacking energy: -15.410
Base-Backbone interact. energy: -0.493
local terms energy: -41.895951
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: 6.522
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: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -78.037409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.037409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.037409 (E_RNA)
where:
Base-Base interactions energy: -23.765
where: short stacking energy: -23.765
Base-Backbone interact. energy: -0.012
local terms energy: -54.260796
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -68.825443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.825443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.825443 (E_RNA)
where:
Base-Base interactions energy: -25.589
where: short stacking energy: -25.589
Base-Backbone interact. energy: -0.068
local terms energy: -43.168289
where:
bonds (distance) C4'-P energy: -8.776
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -7.566
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: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -213.377488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.377488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.377488 (E_RNA)
where:
Base-Base interactions energy: -138.227
where: short stacking energy: -63.334
Base-Backbone interact. energy: -0.004
local terms energy: -75.146598
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -20.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -202.469992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.469992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.469992 (E_RNA)
where:
Base-Base interactions energy: -131.327
where: short stacking energy: -62.083
Base-Backbone interact. energy: -0.124
local terms energy: -71.018710
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -19.714
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: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -173.218714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.218714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.218714 (E_RNA)
where:
Base-Base interactions energy: -107.504
where: short stacking energy: -44.012
Base-Backbone interact. energy: -0.070
local terms energy: -65.644568
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -151.503880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.503880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.503880 (E_RNA)
where:
Base-Base interactions energy: -90.903
where: short stacking energy: -40.857
Base-Backbone interact. energy: -0.075
local terms energy: -60.525401
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -13.102
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: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -159.037903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.037903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.037903 (E_RNA)
where:
Base-Base interactions energy: -99.345
where: short stacking energy: -46.869
Base-Backbone interact. energy: -0.105
local terms energy: -59.587889
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -10.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -100.682381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.682381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.682381 (E_RNA)
where:
Base-Base interactions energy: -52.392
where: short stacking energy: -29.559
Base-Backbone interact. energy: -0.262
local terms energy: -48.028311
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: 0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -91.459102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.459102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.459102 (E_RNA)
where:
Base-Base interactions energy: -49.881
where: short stacking energy: -18.366
Base-Backbone interact. energy: -0.847
local terms energy: -40.731883
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -94.390478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.390478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.390478 (E_RNA)
where:
Base-Base interactions energy: -42.691
where: short stacking energy: -36.317
Base-Backbone interact. energy: -0.097
local terms energy: -51.602537
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -99.753814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.753814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.753814 (E_RNA)
where:
Base-Base interactions energy: -40.438
where: short stacking energy: -40.057
Base-Backbone interact. energy: -0.080
local terms energy: -59.235637
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -11.583
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: 10, replica: 2
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -72.474412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.474412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.474412 (E_RNA)
where:
Base-Base interactions energy: -23.038
where: short stacking energy: -21.430
Base-Backbone interact. energy: -0.286
local terms energy: -49.150048
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -9.325
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: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -198.196837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.196837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.196837 (E_RNA)
where:
Base-Base interactions energy: -137.137
where: short stacking energy: -59.364
Base-Backbone interact. energy: -0.172
local terms energy: -60.887219
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -204.290118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.290118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.290118 (E_RNA)
where:
Base-Base interactions energy: -133.621
where: short stacking energy: -54.930
Base-Backbone interact. energy: -0.456
local terms energy: -70.213309
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -177.300533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.300533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.300533 (E_RNA)
where:
Base-Base interactions energy: -113.347
where: short stacking energy: -52.527
Base-Backbone interact. energy: -0.005
local terms energy: -63.948432
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: -16.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -160.898812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.898812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.898812 (E_RNA)
where:
Base-Base interactions energy: -104.011
where: short stacking energy: -42.523
Base-Backbone interact. energy: 0.184
local terms energy: -57.071089
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -13.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -147.170585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.170585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.170585 (E_RNA)
where:
Base-Base interactions energy: -83.260
where: short stacking energy: -36.932
Base-Backbone interact. energy: -0.493
local terms energy: -63.418132
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -12.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -94.473377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.473377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.473377 (E_RNA)
where:
Base-Base interactions energy: -41.019
where: short stacking energy: -35.677
Base-Backbone interact. energy: -0.208
local terms energy: -53.246240
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -85.091241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.091241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.091241 (E_RNA)
where:
Base-Base interactions energy: -35.418
where: short stacking energy: -35.418
Base-Backbone interact. energy: -0.083
local terms energy: -49.591075
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -6.187
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: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -93.715079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.715079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.715079 (E_RNA)
where:
Base-Base interactions energy: -40.219
where: short stacking energy: -34.364
Base-Backbone interact. energy: -0.129
local terms energy: -53.366481
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -6.427
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: 9, replica: 2
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -77.574407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.574407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.574407 (E_RNA)
where:
Base-Base interactions energy: -28.112
where: short stacking energy: -28.112
Base-Backbone interact. energy: -0.266
local terms energy: -49.196996
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -74.307186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.307186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.307186 (E_RNA)
where:
Base-Base interactions energy: -34.768
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.127
local terms energy: -39.412154
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -4.495
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -8.419
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: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -202.927079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.927079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.927079 (E_RNA)
where:
Base-Base interactions energy: -129.948
where: short stacking energy: -53.956
Base-Backbone interact. energy: -0.001
local terms energy: -72.977886
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -17.805
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: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -187.620034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.620034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.620034 (E_RNA)
where:
Base-Base interactions energy: -112.032
where: short stacking energy: -54.561
Base-Backbone interact. energy: -0.009
local terms energy: -75.578830
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -190.927722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.927722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.927722 (E_RNA)
where:
Base-Base interactions energy: -115.695
where: short stacking energy: -54.014
Base-Backbone interact. energy: -0.003
local terms energy: -75.230681
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -17.576
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: 107
Temperature: 1.050000
Total energy: -154.296014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.296014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.296014 (E_RNA)
where:
Base-Base interactions energy: -100.575
where: short stacking energy: -53.061
Base-Backbone interact. energy: -0.038
local terms energy: -53.683275
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -4.020
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -162.214110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.214110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.214110 (E_RNA)
where:
Base-Base interactions energy: -109.001
where: short stacking energy: -48.233
Base-Backbone interact. energy: -0.019
local terms energy: -53.194258
where:
bonds (distance) C4'-P energy: -7.596
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -97.863518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.863518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.863518 (E_RNA)
where:
Base-Base interactions energy: -52.411
where: short stacking energy: -43.029
Base-Backbone interact. energy: -0.254
local terms energy: -45.198901
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -8.632
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -89.604832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.604832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.604832 (E_RNA)
where:
Base-Base interactions energy: -47.273
where: short stacking energy: -17.708
Base-Backbone interact. energy: 2.433
local terms energy: -44.764298
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: 1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -79.232154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.232154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.232154 (E_RNA)
where:
Base-Base interactions energy: -27.350
where: short stacking energy: -27.350
Base-Backbone interact. energy: -0.002
local terms energy: -51.879767
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -87.970266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.970266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.970266 (E_RNA)
where:
Base-Base interactions energy: -38.297
where: short stacking energy: -17.413
Base-Backbone interact. energy: -0.838
local terms energy: -48.835257
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -9.948
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: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -76.772067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.772067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.772067 (E_RNA)
where:
Base-Base interactions energy: -29.809
where: short stacking energy: -29.809
Base-Backbone interact. energy: 0.196
local terms energy: -47.158902
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -2.250
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: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -210.309912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.309912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.309912 (E_RNA)
where:
Base-Base interactions energy: -137.398
where: short stacking energy: -62.564
Base-Backbone interact. energy: -0.078
local terms energy: -72.833911
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -22.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -182.564987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.564987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.564987 (E_RNA)
where:
Base-Base interactions energy: -110.326
where: short stacking energy: -52.084
Base-Backbone interact. energy: -0.001
local terms energy: -72.238225
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -196.146115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.146115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.146115 (E_RNA)
where:
Base-Base interactions energy: -129.379
where: short stacking energy: -58.892
Base-Backbone interact. energy: -0.003
local terms energy: -66.763793
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -20.066
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: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -153.235250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.235250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.235250 (E_RNA)
where:
Base-Base interactions energy: -91.946
where: short stacking energy: -44.845
Base-Backbone interact. energy: -0.009
local terms energy: -61.280482
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -8.727
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: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -168.840491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.840491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.840491 (E_RNA)
where:
Base-Base interactions energy: -106.629
where: short stacking energy: -50.475
Base-Backbone interact. energy: -0.003
local terms energy: -62.208414
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -8.269
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -13.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -91.418583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.418583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.418583 (E_RNA)
where:
Base-Base interactions energy: -42.942
where: short stacking energy: -27.044
Base-Backbone interact. energy: 0.287
local terms energy: -48.763874
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -9.203
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: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -87.805106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.805106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.805106 (E_RNA)
where:
Base-Base interactions energy: -35.464
where: short stacking energy: -31.903
Base-Backbone interact. energy: -0.404
local terms energy: -51.936598
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -9.158
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: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -101.796217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.796217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.796217 (E_RNA)
where:
Base-Base interactions energy: -56.076
where: short stacking energy: -29.183
Base-Backbone interact. energy: -0.137
local terms energy: -45.582511
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -9.360
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: 0.608
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: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -83.543241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.543241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.543241 (E_RNA)
where:
Base-Base interactions energy: -30.505
where: short stacking energy: -29.151
Base-Backbone interact. energy: -0.159
local terms energy: -52.879572
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -69.642871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.642871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.642871 (E_RNA)
where:
Base-Base interactions energy: -21.516
where: short stacking energy: -21.467
Base-Backbone interact. energy: -0.196
local terms energy: -47.930089
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -5.759
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: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -201.835084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.835084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.835084 (E_RNA)
where:
Base-Base interactions energy: -137.754
where: short stacking energy: -57.724
Base-Backbone interact. energy: 0.380
local terms energy: -64.461333
where:
bonds (distance) C4'-P energy: -7.187
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -16.495
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: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -205.051020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.051020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.051020 (E_RNA)
where:
Base-Base interactions energy: -131.654
where: short stacking energy: -56.470
Base-Backbone interact. energy: -0.001
local terms energy: -73.395732
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -173.432718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.432718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.432718 (E_RNA)
where:
Base-Base interactions energy: -103.643
where: short stacking energy: -50.404
Base-Backbone interact. energy: -0.149
local terms energy: -69.640780
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -176.423292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.423292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.423292 (E_RNA)
where:
Base-Base interactions energy: -122.652
where: short stacking energy: -52.754
Base-Backbone interact. energy: -0.217
local terms energy: -53.554426
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -10.888
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: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -152.006126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.006126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.006126 (E_RNA)
where:
Base-Base interactions energy: -87.070
where: short stacking energy: -47.298
Base-Backbone interact. energy: -0.219
local terms energy: -64.716966
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -12.113
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: 109
Temperature: 1.150000
Total energy: -108.903190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.903190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.903190 (E_RNA)
where:
Base-Base interactions energy: -54.840
where: short stacking energy: -37.896
Base-Backbone interact. energy: -0.561
local terms energy: -53.502223
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -6.745
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: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -104.573997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.573997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.573997 (E_RNA)
where:
Base-Base interactions energy: -53.790
where: short stacking energy: -37.861
Base-Backbone interact. energy: -0.271
local terms energy: -50.513860
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -7.986
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: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -84.973953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.973953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.973953 (E_RNA)
where:
Base-Base interactions energy: -37.191
where: short stacking energy: -19.601
Base-Backbone interact. energy: -0.448
local terms energy: -47.335188
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -5.045
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -87.506812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.506812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.506812 (E_RNA)
where:
Base-Base interactions energy: -37.781
where: short stacking energy: -30.471
Base-Backbone interact. energy: -0.074
local terms energy: -49.651906
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -12.581
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: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -68.893602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.893602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.893602 (E_RNA)
where:
Base-Base interactions energy: -29.737
where: short stacking energy: -27.687
Base-Backbone interact. energy: -0.037
local terms energy: -39.119900
where:
bonds (distance) C4'-P energy: -7.303
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -0.848
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: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -212.597311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.597311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.597311 (E_RNA)
where:
Base-Base interactions energy: -138.886
where: short stacking energy: -60.858
Base-Backbone interact. energy: 0.557
local terms energy: -74.267382
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -16.926
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: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -188.198262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.198262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.198262 (E_RNA)
where:
Base-Base interactions energy: -122.196
where: short stacking energy: -54.392
Base-Backbone interact. energy: -0.168
local terms energy: -65.834478
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -170.323582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.323582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.323582 (E_RNA)
where:
Base-Base interactions energy: -102.745
where: short stacking energy: -47.699
Base-Backbone interact. energy: -0.002
local terms energy: -67.576005
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -176.162877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.162877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.162877 (E_RNA)
where:
Base-Base interactions energy: -112.503
where: short stacking energy: -46.314
Base-Backbone interact. energy: -0.055
local terms energy: -63.604298
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -159.642023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.642023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.642023 (E_RNA)
where:
Base-Base interactions energy: -92.957
where: short stacking energy: -42.184
Base-Backbone interact. energy: -0.489
local terms energy: -66.196389
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -15.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -98.123986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.123986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.123986 (E_RNA)
where:
Base-Base interactions energy: -43.176
where: short stacking energy: -43.176
Base-Backbone interact. energy: -0.119
local terms energy: -54.829151
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -2.307
tors. eta vs tors. theta energy: -8.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -98.516422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.516422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.516422 (E_RNA)
where:
Base-Base interactions energy: -43.408
where: short stacking energy: -26.644
Base-Backbone interact. energy: -0.244
local terms energy: -54.864281
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -3.298
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -81.640344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.640344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.640344 (E_RNA)
where:
Base-Base interactions energy: -30.113
where: short stacking energy: -28.418
Base-Backbone interact. energy: -0.220
local terms energy: -51.307359
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -76.650524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.650524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.650524 (E_RNA)
where:
Base-Base interactions energy: -27.173
where: short stacking energy: -22.370
Base-Backbone interact. energy: -0.233
local terms energy: -49.244054
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: 0.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -73.735115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.735115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.735115 (E_RNA)
where:
Base-Base interactions energy: -33.277
where: short stacking energy: -22.596
Base-Backbone interact. energy: 0.199
local terms energy: -40.657258
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -7.986
flat angles C4'-P-C4' energy: -7.406
flat angles P-C4'-P energy: -7.856
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: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -209.800533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.800533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.800533 (E_RNA)
where:
Base-Base interactions energy: -142.108
where: short stacking energy: -63.199
Base-Backbone interact. energy: -0.001
local terms energy: -67.691910
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -200.129792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.129792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.129792 (E_RNA)
where:
Base-Base interactions energy: -127.151
where: short stacking energy: -60.800
Base-Backbone interact. energy: -0.001
local terms energy: -72.977318
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -20.038
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: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -174.280656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.280656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.280656 (E_RNA)
where:
Base-Base interactions energy: -108.872
where: short stacking energy: -53.169
Base-Backbone interact. energy: -0.742
local terms energy: -64.667141
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -155.279922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.279922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.279922 (E_RNA)
where:
Base-Base interactions energy: -97.603
where: short stacking energy: -48.793
Base-Backbone interact. energy: -0.350
local terms energy: -57.326775
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -173.841122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.841122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.841122 (E_RNA)
where:
Base-Base interactions energy: -105.611
where: short stacking energy: -49.622
Base-Backbone interact. energy: -0.425
local terms energy: -67.804561
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -90.562055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.562055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.562055 (E_RNA)
where:
Base-Base interactions energy: -32.135
where: short stacking energy: -28.672
Base-Backbone interact. energy: -0.000
local terms energy: -58.426893
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -79.939441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.939441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.939441 (E_RNA)
where:
Base-Base interactions energy: -28.859
where: short stacking energy: -28.859
Base-Backbone interact. energy: 0.721
local terms energy: -51.801344
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -8.141
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: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -79.005455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.005455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.005455 (E_RNA)
where:
Base-Base interactions energy: -37.348
where: short stacking energy: -27.129
Base-Backbone interact. energy: 0.345
local terms energy: -42.002938
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -7.343
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: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -79.556393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.556393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.556393 (E_RNA)
where:
Base-Base interactions energy: -43.917
where: short stacking energy: -36.707
Base-Backbone interact. energy: -0.015
local terms energy: -35.625157
where:
bonds (distance) C4'-P energy: -7.799
bonds (distance) P-C4' energy: -3.291
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -6.612
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: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -75.615805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.615805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.615805 (E_RNA)
where:
Base-Base interactions energy: -30.672
where: short stacking energy: -30.672
Base-Backbone interact. energy: -0.248
local terms energy: -44.695532
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -5.759
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: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -199.998160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.998160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.998160 (E_RNA)
where:
Base-Base interactions energy: -129.829
where: short stacking energy: -53.877
Base-Backbone interact. energy: -0.176
local terms energy: -69.992486
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -19.908
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: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -200.053738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.053738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.053738 (E_RNA)
where:
Base-Base interactions energy: -132.284
where: short stacking energy: -60.159
Base-Backbone interact. energy: -0.019
local terms energy: -67.750994
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -183.398129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.398129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.398129 (E_RNA)
where:
Base-Base interactions energy: -114.813
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.092
local terms energy: -68.492613
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -158.846378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.846378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.846378 (E_RNA)
where:
Base-Base interactions energy: -90.389
where: short stacking energy: -43.071
Base-Backbone interact. energy: -0.086
local terms energy: -68.370969
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -154.665999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.665999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.665999 (E_RNA)
where:
Base-Base interactions energy: -97.837
where: short stacking energy: -42.241
Base-Backbone interact. energy: 0.424
local terms energy: -57.253120
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -107.652255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.652255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.652255 (E_RNA)
where:
Base-Base interactions energy: -57.553
where: short stacking energy: -31.751
Base-Backbone interact. energy: -0.177
local terms energy: -49.921772
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -8.990
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -83.977804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.977804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.977804 (E_RNA)
where:
Base-Base interactions energy: -27.744
where: short stacking energy: -27.744
Base-Backbone interact. energy: 0.937
local terms energy: -57.171206
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -11.587
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: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -82.908764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.908764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.908764 (E_RNA)
where:
Base-Base interactions energy: -38.898
where: short stacking energy: -22.498
Base-Backbone interact. energy: 1.636
local terms energy: -45.647203
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -9.041
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -0.296
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: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -78.698871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.698871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.698871 (E_RNA)
where:
Base-Base interactions energy: -30.445
where: short stacking energy: -29.935
Base-Backbone interact. energy: -0.655
local terms energy: -47.598798
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -75.172017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.172017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.172017 (E_RNA)
where:
Base-Base interactions energy: -28.826
where: short stacking energy: -27.167
Base-Backbone interact. energy: -0.087
local terms energy: -46.258807
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -210.367261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.367261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.367261 (E_RNA)
where:
Base-Base interactions energy: -137.236
where: short stacking energy: -55.375
Base-Backbone interact. energy: -0.005
local terms energy: -73.126129
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -208.538479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.538479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.538479 (E_RNA)
where:
Base-Base interactions energy: -134.599
where: short stacking energy: -59.083
Base-Backbone interact. energy: -0.004
local terms energy: -73.935417
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -193.569632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.569632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.569632 (E_RNA)
where:
Base-Base interactions energy: -128.965
where: short stacking energy: -52.126
Base-Backbone interact. energy: -0.006
local terms energy: -64.599205
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -159.489978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.489978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.489978 (E_RNA)
where:
Base-Base interactions energy: -102.175
where: short stacking energy: -44.473
Base-Backbone interact. energy: -1.213
local terms energy: -56.102383
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -158.847350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.847350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.847350 (E_RNA)
where:
Base-Base interactions energy: -95.879
where: short stacking energy: -45.899
Base-Backbone interact. energy: -0.111
local terms energy: -62.857358
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -90.248298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.248298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.248298 (E_RNA)
where:
Base-Base interactions energy: -34.892
where: short stacking energy: -34.892
Base-Backbone interact. energy: -0.175
local terms energy: -55.181393
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -89.681699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.681699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.681699 (E_RNA)
where:
Base-Base interactions energy: -50.146
where: short stacking energy: -16.551
Base-Backbone interact. energy: -0.171
local terms energy: -39.364446
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: 3.254
tors. eta vs tors. theta energy: 0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -80.167272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.167272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.167272 (E_RNA)
where:
Base-Base interactions energy: -28.035
where: short stacking energy: -24.542
Base-Backbone interact. energy: -0.041
local terms energy: -52.092166
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -85.072873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.072873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.072873 (E_RNA)
where:
Base-Base interactions energy: -37.810
where: short stacking energy: -27.705
Base-Backbone interact. energy: -0.363
local terms energy: -46.899320
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -4.468
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: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -68.312550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.312550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.312550 (E_RNA)
where:
Base-Base interactions energy: -31.017
where: short stacking energy: -27.474
Base-Backbone interact. energy: 1.340
local terms energy: -38.635140
where:
bonds (distance) C4'-P energy: -7.472
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -213.469416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.469416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.469416 (E_RNA)
where:
Base-Base interactions energy: -143.265
where: short stacking energy: -63.931
Base-Backbone interact. energy: -0.003
local terms energy: -70.201522
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -17.492
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: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -200.707211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.707211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.707211 (E_RNA)
where:
Base-Base interactions energy: -133.437
where: short stacking energy: -56.329
Base-Backbone interact. energy: -0.626
local terms energy: -66.644112
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -201.360627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.360627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.360627 (E_RNA)
where:
Base-Base interactions energy: -136.262
where: short stacking energy: -57.708
Base-Backbone interact. energy: -0.010
local terms energy: -65.088102
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -165.851569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.851569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.851569 (E_RNA)
where:
Base-Base interactions energy: -110.288
where: short stacking energy: -46.659
Base-Backbone interact. energy: -0.019
local terms energy: -55.544486
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -8.802
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -11.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -151.248334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.248334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.248334 (E_RNA)
where:
Base-Base interactions energy: -101.998
where: short stacking energy: -46.894
Base-Backbone interact. energy: 0.629
local terms energy: -49.878807
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -1.704
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: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -98.723568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.723568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.723568 (E_RNA)
where:
Base-Base interactions energy: -48.161
where: short stacking energy: -35.353
Base-Backbone interact. energy: -0.426
local terms energy: -50.137264
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -5.165
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: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -78.541687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.541687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.541687 (E_RNA)
where:
Base-Base interactions energy: -31.919
where: short stacking energy: -28.712
Base-Backbone interact. energy: -0.733
local terms energy: -45.890056
where:
bonds (distance) C4'-P energy: -3.526
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -7.371
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: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -112.148534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.148534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.148534 (E_RNA)
where:
Base-Base interactions energy: -59.590
where: short stacking energy: -28.736
Base-Backbone interact. energy: 0.650
local terms energy: -53.207964
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -10.595
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: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -77.002508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.002508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.002508 (E_RNA)
where:
Base-Base interactions energy: -28.416
where: short stacking energy: -28.416
Base-Backbone interact. energy: -0.179
local terms energy: -48.407699
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -9.927
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: 10, replica: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -73.234988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.234988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.234988 (E_RNA)
where:
Base-Base interactions energy: -27.862
where: short stacking energy: -25.608
Base-Backbone interact. energy: -0.056
local terms energy: -45.317150
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -6.229
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -209.877522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.877522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.877522 (E_RNA)
where:
Base-Base interactions energy: -138.637
where: short stacking energy: -64.675
Base-Backbone interact. energy: -0.555
local terms energy: -70.685852
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -20.827
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: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -212.223517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.223517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.223517 (E_RNA)
where:
Base-Base interactions energy: -139.733
where: short stacking energy: -65.722
Base-Backbone interact. energy: -0.571
local terms energy: -71.919155
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -18.390
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: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -171.296939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.296939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.296939 (E_RNA)
where:
Base-Base interactions energy: -100.948
where: short stacking energy: -46.856
Base-Backbone interact. energy: -0.222
local terms energy: -70.126883
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -18.335
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: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -152.032311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.032311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.032311 (E_RNA)
where:
Base-Base interactions energy: -96.113
where: short stacking energy: -39.086
Base-Backbone interact. energy: -0.230
local terms energy: -55.689360
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -159.196652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.196652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.196652 (E_RNA)
where:
Base-Base interactions energy: -100.350
where: short stacking energy: -40.380
Base-Backbone interact. energy: -1.124
local terms energy: -57.722384
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -6.012
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: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -89.403159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.403159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.403159 (E_RNA)
where:
Base-Base interactions energy: -38.016
where: short stacking energy: -21.417
Base-Backbone interact. energy: -0.132
local terms energy: -51.254632
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -8.872
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: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -90.394931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.394931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.394931 (E_RNA)
where:
Base-Base interactions energy: -40.605
where: short stacking energy: -24.759
Base-Backbone interact. energy: -0.468
local terms energy: -49.321997
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -1.652
tors. eta vs tors. theta energy: -6.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -80.820004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.820004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.820004 (E_RNA)
where:
Base-Base interactions energy: -31.880
where: short stacking energy: -31.880
Base-Backbone interact. energy: -0.014
local terms energy: -48.926328
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -78.104207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.104207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.104207 (E_RNA)
where:
Base-Base interactions energy: -32.564
where: short stacking energy: -32.564
Base-Backbone interact. energy: -0.029
local terms energy: -45.511059
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -7.407
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: 10, replica: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -66.931162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.931162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.931162 (E_RNA)
where:
Base-Base interactions energy: -20.504
where: short stacking energy: -20.504
Base-Backbone interact. energy: -0.113
local terms energy: -46.313519
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -8.342
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: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -209.422071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.422071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.422071 (E_RNA)
where:
Base-Base interactions energy: -137.751
where: short stacking energy: -65.597
Base-Backbone interact. energy: -0.721
local terms energy: -70.950360
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -208.831110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.831110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.831110 (E_RNA)
where:
Base-Base interactions energy: -144.451
where: short stacking energy: -67.260
Base-Backbone interact. energy: -0.070
local terms energy: -64.310023
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -161.770892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.770892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.770892 (E_RNA)
where:
Base-Base interactions energy: -98.840
where: short stacking energy: -47.974
Base-Backbone interact. energy: -0.197
local terms energy: -62.733965
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -163.885629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.885629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.885629 (E_RNA)
where:
Base-Base interactions energy: -103.474
where: short stacking energy: -45.292
Base-Backbone interact. energy: -0.052
local terms energy: -60.359903
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -10.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -155.278607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.278607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.278607 (E_RNA)
where:
Base-Base interactions energy: -95.708
where: short stacking energy: -50.751
Base-Backbone interact. energy: -0.216
local terms energy: -59.354470
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -9.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -95.463774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.463774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.463774 (E_RNA)
where:
Base-Base interactions energy: -45.202
where: short stacking energy: -31.078
Base-Backbone interact. energy: -0.468
local terms energy: -49.793929
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -1.647
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: 116
Temperature: 1.200000
Total energy: -86.888101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.888101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.888101 (E_RNA)
where:
Base-Base interactions energy: -32.714
where: short stacking energy: -32.548
Base-Backbone interact. energy: -0.087
local terms energy: -54.087185
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -77.675059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.675059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.675059 (E_RNA)
where:
Base-Base interactions energy: -27.956
where: short stacking energy: -27.956
Base-Backbone interact. energy: 1.002
local terms energy: -50.720833
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -79.639894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.639894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.639894 (E_RNA)
where:
Base-Base interactions energy: -36.220
where: short stacking energy: -25.913
Base-Backbone interact. energy: -0.313
local terms energy: -43.106399
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -8.144
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: 1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -72.184035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.184035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.184035 (E_RNA)
where:
Base-Base interactions energy: -32.628
where: short stacking energy: -22.259
Base-Backbone interact. energy: 1.527
local terms energy: -41.083509
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -8.555
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: 0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -207.902104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.902104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.902104 (E_RNA)
where:
Base-Base interactions energy: -139.148
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.082
local terms energy: -68.671381
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -195.284268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.284268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.284268 (E_RNA)
where:
Base-Base interactions energy: -125.190
where: short stacking energy: -53.917
Base-Backbone interact. energy: -0.804
local terms energy: -69.290633
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -164.949478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.949478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.949478 (E_RNA)
where:
Base-Base interactions energy: -100.796
where: short stacking energy: -39.212
Base-Backbone interact. energy: -0.388
local terms energy: -63.764852
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -10.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -173.737380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.737380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.737380 (E_RNA)
where:
Base-Base interactions energy: -103.064
where: short stacking energy: -57.822
Base-Backbone interact. energy: -0.809
local terms energy: -69.864422
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -155.401531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.401531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.401531 (E_RNA)
where:
Base-Base interactions energy: -100.234
where: short stacking energy: -45.200
Base-Backbone interact. energy: -0.393
local terms energy: -54.775088
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -3.167
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -110.946822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.946822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.946822 (E_RNA)
where:
Base-Base interactions energy: -55.164
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.098
local terms energy: -55.684615
where:
bonds (distance) C4'-P energy: -9.389
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -9.789
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: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -84.253069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.253069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.253069 (E_RNA)
where:
Base-Base interactions energy: -36.171
where: short stacking energy: -36.171
Base-Backbone interact. energy: -0.246
local terms energy: -47.835923
where:
bonds (distance) C4'-P energy: -6.064
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -5.701
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: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -82.853659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.853659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.853659 (E_RNA)
where:
Base-Base interactions energy: -26.794
where: short stacking energy: -26.794
Base-Backbone interact. energy: -0.275
local terms energy: -55.784711
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -7.971
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: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -80.806204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.806204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.806204 (E_RNA)
where:
Base-Base interactions energy: -32.301
where: short stacking energy: -17.864
Base-Backbone interact. energy: -0.294
local terms energy: -48.211747
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -69.746826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.746826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.746826 (E_RNA)
where:
Base-Base interactions energy: -34.070
where: short stacking energy: -26.998
Base-Backbone interact. energy: 0.339
local terms energy: -36.016520
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -6.976
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: -1.138
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: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -208.849795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.849795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.849795 (E_RNA)
where:
Base-Base interactions energy: -132.131
where: short stacking energy: -63.706
Base-Backbone interact. energy: -0.000
local terms energy: -76.718536
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -20.455
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: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -211.282250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.282250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.282250 (E_RNA)
where:
Base-Base interactions energy: -136.991
where: short stacking energy: -61.483
Base-Backbone interact. energy: -0.003
local terms energy: -74.288317
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -159.650994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.650994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.650994 (E_RNA)
where:
Base-Base interactions energy: -107.875
where: short stacking energy: -47.925
Base-Backbone interact. energy: -0.229
local terms energy: -51.547216
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -2.519
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -173.983107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.983107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.983107 (E_RNA)
where:
Base-Base interactions energy: -103.505
where: short stacking energy: -44.015
Base-Backbone interact. energy: -0.098
local terms energy: -70.379714
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -16.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -174.296692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.296692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.296692 (E_RNA)
where:
Base-Base interactions energy: -117.199
where: short stacking energy: -49.909
Base-Backbone interact. energy: -0.327
local terms energy: -56.770197
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -2.810
tors. eta vs tors. theta energy: -12.834
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: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -97.211620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.211620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.211620 (E_RNA)
where:
Base-Base interactions energy: -45.150
where: short stacking energy: -38.591
Base-Backbone interact. energy: 0.665
local terms energy: -52.725747
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -88.704974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.704974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.704974 (E_RNA)
where:
Base-Base interactions energy: -45.630
where: short stacking energy: -25.577
Base-Backbone interact. energy: 1.965
local terms energy: -45.040179
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -8.066
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -81.830989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.830989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.830989 (E_RNA)
where:
Base-Base interactions energy: -32.719
where: short stacking energy: -22.166
Base-Backbone interact. energy: 0.511
local terms energy: -49.623486
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -11.078
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: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -85.029415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.029415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.029415 (E_RNA)
where:
Base-Base interactions energy: -36.216
where: short stacking energy: -23.933
Base-Backbone interact. energy: -0.007
local terms energy: -48.805990
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -8.458
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: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -73.876005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.876005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.876005 (E_RNA)
where:
Base-Base interactions energy: -36.893
where: short stacking energy: -27.491
Base-Backbone interact. energy: -0.350
local terms energy: -36.632628
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: 2.846
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: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -212.370533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.370533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.370533 (E_RNA)
where:
Base-Base interactions energy: -137.910
where: short stacking energy: -62.460
Base-Backbone interact. energy: -0.076
local terms energy: -74.384703
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -21.264
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: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -167.489660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.489660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.489660 (E_RNA)
where:
Base-Base interactions energy: -103.113
where: short stacking energy: -45.053
Base-Backbone interact. energy: 0.494
local terms energy: -64.870566
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -198.910035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.910035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.910035 (E_RNA)
where:
Base-Base interactions energy: -126.722
where: short stacking energy: -60.889
Base-Backbone interact. energy: -0.195
local terms energy: -71.992963
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -194.564005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.564005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.564005 (E_RNA)
where:
Base-Base interactions energy: -128.082
where: short stacking energy: -52.884
Base-Backbone interact. energy: -0.008
local terms energy: -66.473588
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -17.615
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: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -170.239334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.239334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.239334 (E_RNA)
where:
Base-Base interactions energy: -106.949
where: short stacking energy: -51.785
Base-Backbone interact. energy: -1.059
local terms energy: -62.231822
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -11.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -104.165674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.165674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.165674 (E_RNA)
where:
Base-Base interactions energy: -55.783
where: short stacking energy: -29.220
Base-Backbone interact. energy: -0.044
local terms energy: -48.338267
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -3.058
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: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -89.110912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.110912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.110912 (E_RNA)
where:
Base-Base interactions energy: -41.493
where: short stacking energy: -29.866
Base-Backbone interact. energy: -0.139
local terms energy: -47.478726
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -6.901
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: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -96.889038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.889038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.889038 (E_RNA)
where:
Base-Base interactions energy: -45.349
where: short stacking energy: -45.349
Base-Backbone interact. energy: -0.071
local terms energy: -51.469714
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -3.809
tors. eta vs tors. theta energy: -8.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -74.518993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.518993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.518993 (E_RNA)
where:
Base-Base interactions energy: -33.716
where: short stacking energy: -31.206
Base-Backbone interact. energy: -0.113
local terms energy: -40.689459
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -6.423
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: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -80.347057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.347057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.347057 (E_RNA)
where:
Base-Base interactions energy: -23.907
where: short stacking energy: -20.649
Base-Backbone interact. energy: -0.144
local terms energy: -56.295703
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -8.335
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -211.054847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.054847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.054847 (E_RNA)
where:
Base-Base interactions energy: -138.322
where: short stacking energy: -64.536
Base-Backbone interact. energy: -0.005
local terms energy: -72.727971
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -17.182
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: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -195.449766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.449766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.449766 (E_RNA)
where:
Base-Base interactions energy: -129.401
where: short stacking energy: -59.529
Base-Backbone interact. energy: -0.188
local terms energy: -65.861244
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -17.887
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: 120
Temperature: 1.000000
Total energy: -180.750070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.750070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.750070 (E_RNA)
where:
Base-Base interactions energy: -114.428
where: short stacking energy: -47.548
Base-Backbone interact. energy: -0.031
local terms energy: -66.291038
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -189.445449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.445449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.445449 (E_RNA)
where:
Base-Base interactions energy: -120.789
where: short stacking energy: -54.055
Base-Backbone interact. energy: -0.373
local terms energy: -68.283616
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -161.396975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.396975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.396975 (E_RNA)
where:
Base-Base interactions energy: -108.268
where: short stacking energy: -44.209
Base-Backbone interact. energy: -0.628
local terms energy: -52.501378
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -96.952421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.952421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.952421 (E_RNA)
where:
Base-Base interactions energy: -41.303
where: short stacking energy: -29.203
Base-Backbone interact. energy: -0.009
local terms energy: -55.640728
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -95.910068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.910068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.910068 (E_RNA)
where:
Base-Base interactions energy: -48.020
where: short stacking energy: -25.059
Base-Backbone interact. energy: -0.304
local terms energy: -47.585338
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -2.806
tors. eta vs tors. theta energy: -3.565
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: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -83.513638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.513638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.513638 (E_RNA)
where:
Base-Base interactions energy: -36.404
where: short stacking energy: -18.703
Base-Backbone interact. energy: -0.160
local terms energy: -46.949247
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -10.387
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: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -78.865538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.865538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.865538 (E_RNA)
where:
Base-Base interactions energy: -27.544
where: short stacking energy: -22.855
Base-Backbone interact. energy: -0.135
local terms energy: -51.185701
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -75.337559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.337559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.337559 (E_RNA)
where:
Base-Base interactions energy: -27.258
where: short stacking energy: -19.825
Base-Backbone interact. energy: -0.304
local terms energy: -47.775661
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -207.576647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.576647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.576647 (E_RNA)
where:
Base-Base interactions energy: -139.260
where: short stacking energy: -66.664
Base-Backbone interact. energy: -0.001
local terms energy: -68.316224
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -18.823
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: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -185.134462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.134462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.134462 (E_RNA)
where:
Base-Base interactions energy: -121.718
where: short stacking energy: -57.116
Base-Backbone interact. energy: -0.176
local terms energy: -63.240728
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -171.756274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.756274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.756274 (E_RNA)
where:
Base-Base interactions energy: -117.382
where: short stacking energy: -40.099
Base-Backbone interact. energy: -0.180
local terms energy: -54.194845
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -186.604883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.604883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.604883 (E_RNA)
where:
Base-Base interactions energy: -124.294
where: short stacking energy: -54.784
Base-Backbone interact. energy: -0.105
local terms energy: -62.205235
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -165.339007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.339007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.339007 (E_RNA)
where:
Base-Base interactions energy: -104.128
where: short stacking energy: -46.850
Base-Backbone interact. energy: -0.022
local terms energy: -61.188320
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -3.782
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -82.251706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.251706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.251706 (E_RNA)
where:
Base-Base interactions energy: -34.846
where: short stacking energy: -21.375
Base-Backbone interact. energy: -0.447
local terms energy: -46.959358
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: 0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -90.243371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.243371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.243371 (E_RNA)
where:
Base-Base interactions energy: -34.356
where: short stacking energy: -34.356
Base-Backbone interact. energy: -0.000
local terms energy: -55.887264
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -5.271
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: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -76.409871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.409871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.409871 (E_RNA)
where:
Base-Base interactions energy: -28.202
where: short stacking energy: -26.082
Base-Backbone interact. energy: -0.467
local terms energy: -47.741074
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -5.824
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: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -68.879477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.879477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.879477 (E_RNA)
where:
Base-Base interactions energy: -31.645
where: short stacking energy: -25.940
Base-Backbone interact. energy: -0.267
local terms energy: -36.967445
where:
bonds (distance) C4'-P energy: -7.948
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -76.896050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.896050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.896050 (E_RNA)
where:
Base-Base interactions energy: -27.610
where: short stacking energy: -27.610
Base-Backbone interact. energy: -0.021
local terms energy: -49.264939
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -6.575
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: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -213.314456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.314456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.314456 (E_RNA)
where:
Base-Base interactions energy: -139.822
where: short stacking energy: -60.632
Base-Backbone interact. energy: -0.001
local terms energy: -73.491462
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -199.975525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.975525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.975525 (E_RNA)
where:
Base-Base interactions energy: -129.199
where: short stacking energy: -60.053
Base-Backbone interact. energy: -0.044
local terms energy: -70.732517
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -203.033447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.033447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.033447 (E_RNA)
where:
Base-Base interactions energy: -130.291
where: short stacking energy: -63.533
Base-Backbone interact. energy: -0.002
local terms energy: -72.740236
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -19.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -171.273192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.273192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.273192 (E_RNA)
where:
Base-Base interactions energy: -114.573
where: short stacking energy: -35.912
Base-Backbone interact. energy: -0.211
local terms energy: -56.489466
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -10.549
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: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -163.858978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.858978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.858978 (E_RNA)
where:
Base-Base interactions energy: -101.953
where: short stacking energy: -46.215
Base-Backbone interact. energy: -0.107
local terms energy: -61.798946
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -98.229430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.229430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.229430 (E_RNA)
where:
Base-Base interactions energy: -46.829
where: short stacking energy: -33.676
Base-Backbone interact. energy: -1.579
local terms energy: -49.821013
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -10.602
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: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -84.786801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.786801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.786801 (E_RNA)
where:
Base-Base interactions energy: -43.637
where: short stacking energy: -27.087
Base-Backbone interact. energy: -0.198
local terms energy: -40.951562
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: 2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -78.423246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.423246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.423246 (E_RNA)
where:
Base-Base interactions energy: -28.208
where: short stacking energy: -22.935
Base-Backbone interact. energy: -0.034
local terms energy: -50.181448
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -4.115
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -76.618881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.618881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.618881 (E_RNA)
where:
Base-Base interactions energy: -23.896
where: short stacking energy: -21.724
Base-Backbone interact. energy: -0.186
local terms energy: -52.536898
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -72.880239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.880239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.880239 (E_RNA)
where:
Base-Base interactions energy: -33.078
where: short stacking energy: -31.176
Base-Backbone interact. energy: 0.010
local terms energy: -39.812814
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -0.802
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -210.206069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.206069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.206069 (E_RNA)
where:
Base-Base interactions energy: -136.965
where: short stacking energy: -60.473
Base-Backbone interact. energy: -0.124
local terms energy: -73.117634
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -206.743806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.743806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.743806 (E_RNA)
where:
Base-Base interactions energy: -137.372
where: short stacking energy: -62.925
Base-Backbone interact. energy: 0.881
local terms energy: -70.252976
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -202.187308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.187308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.187308 (E_RNA)
where:
Base-Base interactions energy: -139.725
where: short stacking energy: -62.445
Base-Backbone interact. energy: -0.281
local terms energy: -62.181204
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -170.783585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.783585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.783585 (E_RNA)
where:
Base-Base interactions energy: -116.208
where: short stacking energy: -44.077
Base-Backbone interact. energy: -0.283
local terms energy: -54.293250
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -5.008
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -149.274766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.274766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.274766 (E_RNA)
where:
Base-Base interactions energy: -82.433
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.096
local terms energy: -66.745229
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -115.749488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.749488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.749488 (E_RNA)
where:
Base-Base interactions energy: -55.208
where: short stacking energy: -44.926
Base-Backbone interact. energy: -0.557
local terms energy: -59.983961
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -11.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -81.667379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.667379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.667379 (E_RNA)
where:
Base-Base interactions energy: -29.998
where: short stacking energy: -29.998
Base-Backbone interact. energy: -0.446
local terms energy: -51.223079
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -94.948035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.948035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.948035 (E_RNA)
where:
Base-Base interactions energy: -39.585
where: short stacking energy: -37.495
Base-Backbone interact. energy: -0.386
local terms energy: -54.977137
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -72.413233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.413233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.413233 (E_RNA)
where:
Base-Base interactions energy: -22.334
where: short stacking energy: -17.739
Base-Backbone interact. energy: -0.470
local terms energy: -49.609898
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -9.278
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: 2
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -77.829576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.829576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.829576 (E_RNA)
where:
Base-Base interactions energy: -29.214
where: short stacking energy: -19.802
Base-Backbone interact. energy: -0.063
local terms energy: -48.553154
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -209.598531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.598531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.598531 (E_RNA)
where:
Base-Base interactions energy: -135.170
where: short stacking energy: -59.601
Base-Backbone interact. energy: -0.176
local terms energy: -74.252633
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -219.097549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.097549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.097549 (E_RNA)
where:
Base-Base interactions energy: -144.307
where: short stacking energy: -65.939
Base-Backbone interact. energy: -0.000
local terms energy: -74.790454
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -18.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -210.892417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.892417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.892417 (E_RNA)
where:
Base-Base interactions energy: -139.789
where: short stacking energy: -63.170
Base-Backbone interact. energy: -0.284
local terms energy: -70.819481
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -163.379225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.379225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.379225 (E_RNA)
where:
Base-Base interactions energy: -107.019
where: short stacking energy: -44.483
Base-Backbone interact. energy: -0.204
local terms energy: -56.157057
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -10.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -168.534335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.534335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.534335 (E_RNA)
where:
Base-Base interactions energy: -106.564
where: short stacking energy: -41.133
Base-Backbone interact. energy: -0.104
local terms energy: -61.866264
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -116.016645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.016645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.016645 (E_RNA)
where:
Base-Base interactions energy: -62.521
where: short stacking energy: -29.573
Base-Backbone interact. energy: -0.374
local terms energy: -53.121783
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -92.999054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.999054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.999054 (E_RNA)
where:
Base-Base interactions energy: -44.012
where: short stacking energy: -36.343
Base-Backbone interact. energy: 0.534
local terms energy: -49.520689
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -101.553057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.553057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.553057 (E_RNA)
where:
Base-Base interactions energy: -47.500
where: short stacking energy: -25.186
Base-Backbone interact. energy: -1.179
local terms energy: -52.873907
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -5.822
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: 2
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -78.310243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.310243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.310243 (E_RNA)
where:
Base-Base interactions energy: -40.260
where: short stacking energy: -25.785
Base-Backbone interact. energy: 0.503
local terms energy: -38.553733
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -6.556
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -3.635
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: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -66.437657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.437657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.437657 (E_RNA)
where:
Base-Base interactions energy: -35.104
where: short stacking energy: -29.286
Base-Backbone interact. energy: -0.123
local terms energy: -31.210003
where:
bonds (distance) C4'-P energy: -7.219
bonds (distance) P-C4' energy: -7.780
flat angles C4'-P-C4' energy: -7.640
flat angles P-C4'-P energy: -6.868
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: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -206.378576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.378576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.378576 (E_RNA)
where:
Base-Base interactions energy: -136.670
where: short stacking energy: -51.447
Base-Backbone interact. energy: -0.100
local terms energy: -69.608839
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -12.492
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: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -201.376573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.376573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.376573 (E_RNA)
where:
Base-Base interactions energy: -125.462
where: short stacking energy: -56.003
Base-Backbone interact. energy: -0.006
local terms energy: -75.908170
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -18.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -182.407760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.407760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.407760 (E_RNA)
where:
Base-Base interactions energy: -118.078
where: short stacking energy: -45.230
Base-Backbone interact. energy: -0.472
local terms energy: -63.858172
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -15.832
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: 125
Temperature: 1.050000
Total energy: -166.808475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.808475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.808475 (E_RNA)
where:
Base-Base interactions energy: -105.180
where: short stacking energy: -53.149
Base-Backbone interact. energy: -0.002
local terms energy: -61.626179
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -0.593
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -141.603005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.603005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.603005 (E_RNA)
where:
Base-Base interactions energy: -78.221
where: short stacking energy: -36.372
Base-Backbone interact. energy: -0.006
local terms energy: -63.375930
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -116.783504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.783504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.783504 (E_RNA)
where:
Base-Base interactions energy: -60.921
where: short stacking energy: -24.852
Base-Backbone interact. energy: -0.084
local terms energy: -55.779261
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -89.315189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.315189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.315189 (E_RNA)
where:
Base-Base interactions energy: -43.107
where: short stacking energy: -28.084
Base-Backbone interact. energy: 1.476
local terms energy: -47.684942
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -79.963509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.963509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.963509 (E_RNA)
where:
Base-Base interactions energy: -36.442
where: short stacking energy: -22.688
Base-Backbone interact. energy: 1.290
local terms energy: -44.811370
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -1.944
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: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -92.494456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.494456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.494456 (E_RNA)
where:
Base-Base interactions energy: -46.053
where: short stacking energy: -32.654
Base-Backbone interact. energy: -0.103
local terms energy: -46.338346
where:
bonds (distance) C4'-P energy: -6.347
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -7.736
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: 10, replica: 3
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -70.540602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.540602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.540602 (E_RNA)
where:
Base-Base interactions energy: -24.185
where: short stacking energy: -24.185
Base-Backbone interact. energy: -0.203
local terms energy: -46.153178
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -9.044
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: 1, replica: 10
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -210.270457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.270457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.270457 (E_RNA)
where:
Base-Base interactions energy: -135.787
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.034
local terms energy: -74.449709
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -205.615098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.615098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.615098 (E_RNA)
where:
Base-Base interactions energy: -136.052
where: short stacking energy: -54.435
Base-Backbone interact. energy: -0.301
local terms energy: -69.262105
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -16.379
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: 6
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -175.056876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.056876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.056876 (E_RNA)
where:
Base-Base interactions energy: -115.710
where: short stacking energy: -50.940
Base-Backbone interact. energy: -0.858
local terms energy: -58.488610
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -13.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -160.050860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.050860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.050860 (E_RNA)
where:
Base-Base interactions energy: -102.048
where: short stacking energy: -44.323
Base-Backbone interact. energy: -0.060
local terms energy: -57.942701
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -10.004
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: 126
Temperature: 1.100000
Total energy: -111.816055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.816055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.816055 (E_RNA)
where:
Base-Base interactions energy: -46.301
where: short stacking energy: -36.324
Base-Backbone interact. energy: -0.247
local terms energy: -65.267712
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -151.632225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.632225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.632225 (E_RNA)
where:
Base-Base interactions energy: -94.363
where: short stacking energy: -46.862
Base-Backbone interact. energy: -0.023
local terms energy: -57.246402
where:
bonds (distance) C4'-P energy: -8.237
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -11.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -99.164002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.164002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.164002 (E_RNA)
where:
Base-Base interactions energy: -45.806
where: short stacking energy: -22.125
Base-Backbone interact. energy: -0.071
local terms energy: -53.286681
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -141.533214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.533214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.533214 (E_RNA)
where:
Base-Base interactions energy: -92.045
where: short stacking energy: -47.476
Base-Backbone interact. energy: 1.867
local terms energy: -51.355449
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -6.087
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -11.568
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: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -77.457077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.457077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.457077 (E_RNA)
where:
Base-Base interactions energy: -33.067
where: short stacking energy: -29.791
Base-Backbone interact. energy: -0.082
local terms energy: -44.308484
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -7.608
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -7.684
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: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -72.414447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.414447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.414447 (E_RNA)
where:
Base-Base interactions energy: -23.650
where: short stacking energy: -23.650
Base-Backbone interact. energy: -0.370
local terms energy: -48.394444
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -208.874564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.874564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.874564 (E_RNA)
where:
Base-Base interactions energy: -135.279
where: short stacking energy: -59.609
Base-Backbone interact. energy: -0.003
local terms energy: -73.592790
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -205.600241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.600241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.600241 (E_RNA)
where:
Base-Base interactions energy: -133.204
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.002
local terms energy: -72.394239
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -186.363612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.363612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.363612 (E_RNA)
where:
Base-Base interactions energy: -117.527
where: short stacking energy: -52.447
Base-Backbone interact. energy: -0.049
local terms energy: -68.788225
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -171.294873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.294873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.294873 (E_RNA)
where:
Base-Base interactions energy: -110.539
where: short stacking energy: -51.390
Base-Backbone interact. energy: -0.087
local terms energy: -60.669218
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -13.940
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: 127
Temperature: 1.100000
Total energy: -99.520554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.520554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.520554 (E_RNA)
where:
Base-Base interactions energy: -41.640
where: short stacking energy: -30.059
Base-Backbone interact. energy: -0.236
local terms energy: -57.644344
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -136.646703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.646703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.646703 (E_RNA)
where:
Base-Base interactions energy: -80.135
where: short stacking energy: -37.337
Base-Backbone interact. energy: -0.057
local terms energy: -56.454638
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -4.744
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: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -94.262798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.262798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.262798 (E_RNA)
where:
Base-Base interactions energy: -36.596
where: short stacking energy: -36.165
Base-Backbone interact. energy: -0.168
local terms energy: -57.498874
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -3.841
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: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -93.160397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.160397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.160397 (E_RNA)
where:
Base-Base interactions energy: -40.534
where: short stacking energy: -33.823
Base-Backbone interact. energy: -0.072
local terms energy: -52.554263
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -7.990
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -7.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -139.518015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.518015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.518015 (E_RNA)
where:
Base-Base interactions energy: -93.620
where: short stacking energy: -40.184
Base-Backbone interact. energy: -0.058
local terms energy: -45.840287
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -6.456
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: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -71.613631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.613631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.613631 (E_RNA)
where:
Base-Base interactions energy: -33.248
where: short stacking energy: -17.863
Base-Backbone interact. energy: -0.294
local terms energy: -38.071662
where:
bonds (distance) C4'-P energy: -7.213
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: 1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -198.826096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.826096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.826096 (E_RNA)
where:
Base-Base interactions energy: -132.582
where: short stacking energy: -64.281
Base-Backbone interact. energy: -0.003
local terms energy: -66.241226
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -214.374430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.374430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.374430 (E_RNA)
where:
Base-Base interactions energy: -139.207
where: short stacking energy: -62.018
Base-Backbone interact. energy: -0.002
local terms energy: -75.165124
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -10.171
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -195.398417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.398417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.398417 (E_RNA)
where:
Base-Base interactions energy: -133.213
where: short stacking energy: -49.878
Base-Backbone interact. energy: -0.011
local terms energy: -62.175160
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -166.855490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.855490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.855490 (E_RNA)
where:
Base-Base interactions energy: -106.181
where: short stacking energy: -48.547
Base-Backbone interact. energy: -0.001
local terms energy: -60.673844
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -7.311
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: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -160.882452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.882452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.882452 (E_RNA)
where:
Base-Base interactions energy: -105.016
where: short stacking energy: -46.942
Base-Backbone interact. energy: -0.027
local terms energy: -55.838633
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -4.026
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -99.713912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.713912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.713912 (E_RNA)
where:
Base-Base interactions energy: -47.260
where: short stacking energy: -39.443
Base-Backbone interact. energy: -1.218
local terms energy: -51.235503
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -100.714133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.714133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.714133 (E_RNA)
where:
Base-Base interactions energy: -45.651
where: short stacking energy: -16.539
Base-Backbone interact. energy: -1.128
local terms energy: -53.935451
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -77.521744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.521744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.521744 (E_RNA)
where:
Base-Base interactions energy: -30.339
where: short stacking energy: -26.195
Base-Backbone interact. energy: -0.109
local terms energy: -47.073278
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -7.100
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -92.621465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.621465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.621465 (E_RNA)
where:
Base-Base interactions energy: -32.097
where: short stacking energy: -31.049
Base-Backbone interact. energy: -0.015
local terms energy: -60.508783
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -8.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -76.624951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.624951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.624951 (E_RNA)
where:
Base-Base interactions energy: -32.519
where: short stacking energy: -22.090
Base-Backbone interact. energy: -0.926
local terms energy: -43.179256
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -8.000
flat angles P-C4'-P energy: -8.133
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: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -208.228152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.228152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.228152 (E_RNA)
where:
Base-Base interactions energy: -134.437
where: short stacking energy: -62.115
Base-Backbone interact. energy: -0.103
local terms energy: -73.688101
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -204.527329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.527329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.527329 (E_RNA)
where:
Base-Base interactions energy: -129.742
where: short stacking energy: -56.170
Base-Backbone interact. energy: -0.005
local terms energy: -74.780811
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -19.535
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: 129
Temperature: 1.000000
Total energy: -196.936462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.936462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.936462 (E_RNA)
where:
Base-Base interactions energy: -132.886
where: short stacking energy: -52.211
Base-Backbone interact. energy: -0.618
local terms energy: -63.432235
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -10.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -167.717682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.717682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.717682 (E_RNA)
where:
Base-Base interactions energy: -108.846
where: short stacking energy: -50.553
Base-Backbone interact. energy: 2.403
local terms energy: -61.274731
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -4.960
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -150.025067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.025067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.025067 (E_RNA)
where:
Base-Base interactions energy: -92.571
where: short stacking energy: -45.505
Base-Backbone interact. energy: -0.270
local terms energy: -57.183985
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -7.574
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: 129
Temperature: 1.150000
Total energy: -108.554408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.554408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.554408 (E_RNA)
where:
Base-Base interactions energy: -63.498
where: short stacking energy: -29.363
Base-Backbone interact. energy: -0.751
local terms energy: -44.305476
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: 3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -103.868834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.868834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.868834 (E_RNA)
where:
Base-Base interactions energy: -58.335
where: short stacking energy: -31.289
Base-Backbone interact. energy: -0.360
local terms energy: -45.173128
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -7.218
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: 8, replica: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -82.362772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.362772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.362772 (E_RNA)
where:
Base-Base interactions energy: -31.969
where: short stacking energy: -30.902
Base-Backbone interact. energy: -0.006
local terms energy: -50.387744
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -77.041314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.041314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.041314 (E_RNA)
where:
Base-Base interactions energy: -26.415
where: short stacking energy: -26.415
Base-Backbone interact. energy: -0.079
local terms energy: -50.547746
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -4.064
flat angles P-C4'-P energy: -9.725
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: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -72.670138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.670138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.670138 (E_RNA)
where:
Base-Base interactions energy: -24.409
where: short stacking energy: -23.762
Base-Backbone interact. energy: -0.104
local terms energy: -48.157637
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -6.419
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: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -213.304764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.304764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.304764 (E_RNA)
where:
Base-Base interactions energy: -139.581
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.127
local terms energy: -73.596082
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -207.077947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.077947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.077947 (E_RNA)
where:
Base-Base interactions energy: -138.262
where: short stacking energy: -62.610
Base-Backbone interact. energy: -0.005
local terms energy: -68.811196
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -177.249474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.249474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.249474 (E_RNA)
where:
Base-Base interactions energy: -111.030
where: short stacking energy: -43.566
Base-Backbone interact. energy: -0.429
local terms energy: -65.790202
where:
bonds (distance) C4'-P energy: -10.163
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -12.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -202.762874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.762874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.762874 (E_RNA)
where:
Base-Base interactions energy: -137.546
where: short stacking energy: -54.753
Base-Backbone interact. energy: -0.053
local terms energy: -65.164770
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -15.144
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: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -157.707024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.707024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.707024 (E_RNA)
where:
Base-Base interactions energy: -103.805
where: short stacking energy: -47.006
Base-Backbone interact. energy: -0.682
local terms energy: -53.220350
where:
bonds (distance) C4'-P energy: -7.587
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -92.614141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.614141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.614141 (E_RNA)
where:
Base-Base interactions energy: -47.761
where: short stacking energy: -22.558
Base-Backbone interact. energy: 2.023
local terms energy: -46.875948
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -9.526
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -88.519414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.519414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.519414 (E_RNA)
where:
Base-Base interactions energy: -39.282
where: short stacking energy: -28.954
Base-Backbone interact. energy: -0.107
local terms energy: -49.130078
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -4.188
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: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -68.902596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.902596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.902596 (E_RNA)
where:
Base-Base interactions energy: -21.990
where: short stacking energy: -20.487
Base-Backbone interact. energy: -0.586
local terms energy: -46.326201
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: 3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -89.195701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.195701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.195701 (E_RNA)
where:
Base-Base interactions energy: -34.684
where: short stacking energy: -22.586
Base-Backbone interact. energy: -0.033
local terms energy: -54.478278
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -9.217
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: 10, replica: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -65.457084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.457084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.457084 (E_RNA)
where:
Base-Base interactions energy: -31.867
where: short stacking energy: -17.517
Base-Backbone interact. energy: 1.235
local terms energy: -34.824811
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -7.451
flat angles P-C4'-P energy: -3.844
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: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -209.046295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.046295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.046295 (E_RNA)
where:
Base-Base interactions energy: -137.415
where: short stacking energy: -56.395
Base-Backbone interact. energy: -0.043
local terms energy: -71.588127
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -200.852601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.852601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.852601 (E_RNA)
where:
Base-Base interactions energy: -125.673
where: short stacking energy: -57.758
Base-Backbone interact. energy: -0.005
local terms energy: -75.174982
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -18.355
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: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -178.099088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.099088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.099088 (E_RNA)
where:
Base-Base interactions energy: -113.151
where: short stacking energy: -49.039
Base-Backbone interact. energy: 0.717
local terms energy: -65.665023
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -199.488191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.488191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.488191 (E_RNA)
where:
Base-Base interactions energy: -133.848
where: short stacking energy: -46.751
Base-Backbone interact. energy: -0.003
local terms energy: -65.636639
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -157.533322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.533322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.533322 (E_RNA)
where:
Base-Base interactions energy: -97.378
where: short stacking energy: -51.884
Base-Backbone interact. energy: -0.130
local terms energy: -60.024858
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -93.433184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.433184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.433184 (E_RNA)
where:
Base-Base interactions energy: -32.812
where: short stacking energy: -29.385
Base-Backbone interact. energy: -0.109
local terms energy: -60.512620
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -9.603
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: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -98.409216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.409216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.409216 (E_RNA)
where:
Base-Base interactions energy: -44.311
where: short stacking energy: -32.292
Base-Backbone interact. energy: -0.262
local terms energy: -53.836773
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -75.993643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.993643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.993643 (E_RNA)
where:
Base-Base interactions energy: -29.186
where: short stacking energy: -15.854
Base-Backbone interact. energy: 1.125
local terms energy: -47.933250
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -8.904
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: 9, replica: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -81.285072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.285072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.285072 (E_RNA)
where:
Base-Base interactions energy: -31.771
where: short stacking energy: -31.771
Base-Backbone interact. energy: -0.104
local terms energy: -49.409784
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -71.773753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.773753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.773753 (E_RNA)
where:
Base-Base interactions energy: -28.269
where: short stacking energy: -15.905
Base-Backbone interact. energy: -0.271
local terms energy: -43.233836
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -9.211
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: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -215.830616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.830616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.830616 (E_RNA)
where:
Base-Base interactions energy: -143.310
where: short stacking energy: -63.357
Base-Backbone interact. energy: -0.883
local terms energy: -71.637430
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -202.237914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.237914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.237914 (E_RNA)
where:
Base-Base interactions energy: -134.332
where: short stacking energy: -60.860
Base-Backbone interact. energy: -0.001
local terms energy: -67.905248
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -191.443444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.443444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.443444 (E_RNA)
where:
Base-Base interactions energy: -124.547
where: short stacking energy: -54.539
Base-Backbone interact. energy: -0.002
local terms energy: -66.894341
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -14.721
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: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -195.396909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.396909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.396909 (E_RNA)
where:
Base-Base interactions energy: -127.719
where: short stacking energy: -60.408
Base-Backbone interact. energy: -0.173
local terms energy: -67.504052
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -18.302
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: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -162.685281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.685281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.685281 (E_RNA)
where:
Base-Base interactions energy: -101.376
where: short stacking energy: -54.856
Base-Backbone interact. energy: 0.397
local terms energy: -61.707121
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -6.603
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -15.865
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: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -89.241625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.241625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.241625 (E_RNA)
where:
Base-Base interactions energy: -35.363
where: short stacking energy: -25.527
Base-Backbone interact. energy: 0.550
local terms energy: -54.427950
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -91.463993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.463993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.463993 (E_RNA)
where:
Base-Base interactions energy: -37.244
where: short stacking energy: -36.475
Base-Backbone interact. energy: -0.145
local terms energy: -54.075223
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -7.603
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: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -82.906232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.906232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.906232 (E_RNA)
where:
Base-Base interactions energy: -30.733
where: short stacking energy: -30.733
Base-Backbone interact. energy: -0.002
local terms energy: -52.171685
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -9.821
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -3.339
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: 9, replica: 2
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -73.276627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.276627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.276627 (E_RNA)
where:
Base-Base interactions energy: -33.379
where: short stacking energy: -19.212
Base-Backbone interact. energy: 0.748
local terms energy: -40.645372
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: 2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -67.633268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.633268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.633268 (E_RNA)
where:
Base-Base interactions energy: -19.477
where: short stacking energy: -18.317
Base-Backbone interact. energy: 0.300
local terms energy: -48.456300
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: 0.284
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: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -208.103980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.103980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.103980 (E_RNA)
where:
Base-Base interactions energy: -136.737
where: short stacking energy: -55.313
Base-Backbone interact. energy: 0.234
local terms energy: -71.601411
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -191.846903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.846903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.846903 (E_RNA)
where:
Base-Base interactions energy: -123.782
where: short stacking energy: -48.529
Base-Backbone interact. energy: -0.003
local terms energy: -68.061823
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -199.349153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.349153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.349153 (E_RNA)
where:
Base-Base interactions energy: -128.521
where: short stacking energy: -62.974
Base-Backbone interact. energy: -0.001
local terms energy: -70.827269
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -191.784722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.784722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.784722 (E_RNA)
where:
Base-Base interactions energy: -122.712
where: short stacking energy: -52.448
Base-Backbone interact. energy: -0.104
local terms energy: -68.969181
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -157.143192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.143192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.143192 (E_RNA)
where:
Base-Base interactions energy: -93.269
where: short stacking energy: -39.390
Base-Backbone interact. energy: 0.316
local terms energy: -64.190252
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -11.650
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: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -96.407913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.407913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.407913 (E_RNA)
where:
Base-Base interactions energy: -39.802
where: short stacking energy: -32.064
Base-Backbone interact. energy: -0.219
local terms energy: -56.387030
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -9.403
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: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -103.118209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.118209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.118209 (E_RNA)
where:
Base-Base interactions energy: -39.969
where: short stacking energy: -39.969
Base-Backbone interact. energy: -0.000
local terms energy: -63.148926
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -96.141077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.141077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.141077 (E_RNA)
where:
Base-Base interactions energy: -45.829
where: short stacking energy: -23.718
Base-Backbone interact. energy: -0.332
local terms energy: -49.980074
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -78.560764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.560764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.560764 (E_RNA)
where:
Base-Base interactions energy: -33.345
where: short stacking energy: -33.345
Base-Backbone interact. energy: -0.150
local terms energy: -45.065808
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -75.093151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.093151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.093151 (E_RNA)
where:
Base-Base interactions energy: -23.761
where: short stacking energy: -23.761
Base-Backbone interact. energy: -0.177
local terms energy: -51.155439
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -214.096715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.096715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.096715 (E_RNA)
where:
Base-Base interactions energy: -141.801
where: short stacking energy: -63.503
Base-Backbone interact. energy: 0.890
local terms energy: -73.185917
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -172.874938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.874938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.874938 (E_RNA)
where:
Base-Base interactions energy: -103.456
where: short stacking energy: -47.788
Base-Backbone interact. energy: -0.203
local terms energy: -69.215781
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -11.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -185.387707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.387707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.387707 (E_RNA)
where:
Base-Base interactions energy: -114.170
where: short stacking energy: -53.219
Base-Backbone interact. energy: -0.001
local terms energy: -71.216733
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -204.437642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.437642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.437642 (E_RNA)
where:
Base-Base interactions energy: -132.196
where: short stacking energy: -61.383
Base-Backbone interact. energy: -0.467
local terms energy: -71.775073
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -22.237
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: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -153.304085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.304085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.304085 (E_RNA)
where:
Base-Base interactions energy: -90.446
where: short stacking energy: -41.487
Base-Backbone interact. energy: -0.016
local terms energy: -62.842171
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -11.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -93.126606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.126606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.126606 (E_RNA)
where:
Base-Base interactions energy: -40.867
where: short stacking energy: -40.867
Base-Backbone interact. energy: 0.209
local terms energy: -52.468509
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -7.360
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -145.464464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.464464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.464464 (E_RNA)
where:
Base-Base interactions energy: -93.816
where: short stacking energy: -51.581
Base-Backbone interact. energy: -0.074
local terms energy: -51.574364
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -8.070
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -84.214005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.214005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.214005 (E_RNA)
where:
Base-Base interactions energy: -29.136
where: short stacking energy: -24.785
Base-Backbone interact. energy: -0.011
local terms energy: -55.067044
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -8.245
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: 9, replica: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -76.706506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.706506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.706506 (E_RNA)
where:
Base-Base interactions energy: -31.789
where: short stacking energy: -22.176
Base-Backbone interact. energy: -0.361
local terms energy: -44.556705
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -5.372
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: 2
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -67.091554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.091554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.091554 (E_RNA)
where:
Base-Base interactions energy: -22.308
where: short stacking energy: -22.030
Base-Backbone interact. energy: -0.300
local terms energy: -44.483823
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -8.506
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: 0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -200.457582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.457582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.457582 (E_RNA)
where:
Base-Base interactions energy: -127.976
where: short stacking energy: -58.333
Base-Backbone interact. energy: -0.127
local terms energy: -72.354765
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -184.175893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.175893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.175893 (E_RNA)
where:
Base-Base interactions energy: -122.814
where: short stacking energy: -56.446
Base-Backbone interact. energy: -0.522
local terms energy: -60.839095
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -182.976230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.976230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.976230 (E_RNA)
where:
Base-Base interactions energy: -119.319
where: short stacking energy: -51.101
Base-Backbone interact. energy: -0.069
local terms energy: -63.588210
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -11.166
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: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -194.823330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.823330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.823330 (E_RNA)
where:
Base-Base interactions energy: -125.777
where: short stacking energy: -60.372
Base-Backbone interact. energy: -0.006
local terms energy: -69.039852
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -15.612
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: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -183.776721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.776721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.776721 (E_RNA)
where:
Base-Base interactions energy: -116.602
where: short stacking energy: -56.454
Base-Backbone interact. energy: -0.307
local terms energy: -66.867034
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -121.494690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.494690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.494690 (E_RNA)
where:
Base-Base interactions energy: -63.992
where: short stacking energy: -38.344
Base-Backbone interact. energy: -0.012
local terms energy: -57.491268
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -95.169608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.169608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.169608 (E_RNA)
where:
Base-Base interactions energy: -46.805
where: short stacking energy: -31.150
Base-Backbone interact. energy: -0.589
local terms energy: -47.775292
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -102.377295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.377295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.377295 (E_RNA)
where:
Base-Base interactions energy: -49.925
where: short stacking energy: -49.925
Base-Backbone interact. energy: -0.005
local terms energy: -52.447185
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -10.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -73.170706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.170706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.170706 (E_RNA)
where:
Base-Base interactions energy: -20.626
where: short stacking energy: -20.626
Base-Backbone interact. energy: -0.167
local terms energy: -52.377723
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -70.013757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.013757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.013757 (E_RNA)
where:
Base-Base interactions energy: -31.673
where: short stacking energy: -12.241
Base-Backbone interact. energy: -0.087
local terms energy: -38.253139
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -5.574
flat angles P-C4'-P energy: -8.516
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: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -198.896037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.896037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.896037 (E_RNA)
where:
Base-Base interactions energy: -123.098
where: short stacking energy: -59.142
Base-Backbone interact. energy: -0.867
local terms energy: -74.930721
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -19.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -186.298645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.298645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.298645 (E_RNA)
where:
Base-Base interactions energy: -121.414
where: short stacking energy: -55.912
Base-Backbone interact. energy: -0.366
local terms energy: -64.518895
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -190.361999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.361999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.361999 (E_RNA)
where:
Base-Base interactions energy: -125.037
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.075
local terms energy: -65.249624
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -169.970609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.970609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.970609 (E_RNA)
where:
Base-Base interactions energy: -109.206
where: short stacking energy: -48.700
Base-Backbone interact. energy: -0.016
local terms energy: -60.748401
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -180.299518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.299518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.299518 (E_RNA)
where:
Base-Base interactions energy: -110.706
where: short stacking energy: -52.021
Base-Backbone interact. energy: -0.093
local terms energy: -69.501275
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -120.011668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.011668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.011668 (E_RNA)
where:
Base-Base interactions energy: -59.259
where: short stacking energy: -32.848
Base-Backbone interact. energy: 0.184
local terms energy: -60.936797
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -10.165
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: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -78.551982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.551982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.551982 (E_RNA)
where:
Base-Base interactions energy: -28.804
where: short stacking energy: -28.804
Base-Backbone interact. energy: -0.033
local terms energy: -49.714824
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -6.114
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: 8, replica: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -84.291057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.291057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.291057 (E_RNA)
where:
Base-Base interactions energy: -27.507
where: short stacking energy: -25.808
Base-Backbone interact. energy: 0.133
local terms energy: -56.917555
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -79.284499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.284499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.284499 (E_RNA)
where:
Base-Base interactions energy: -33.324
where: short stacking energy: -25.618
Base-Backbone interact. energy: -0.323
local terms energy: -45.636889
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -71.826378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.826378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.826378 (E_RNA)
where:
Base-Base interactions energy: -26.245
where: short stacking energy: -24.006
Base-Backbone interact. energy: -0.089
local terms energy: -45.492880
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -5.633
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: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -197.195273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.195273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.195273 (E_RNA)
where:
Base-Base interactions energy: -122.938
where: short stacking energy: -56.908
Base-Backbone interact. energy: -0.002
local terms energy: -74.255716
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -207.248280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.248280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.248280 (E_RNA)
where:
Base-Base interactions energy: -139.255
where: short stacking energy: -56.919
Base-Backbone interact. energy: -0.663
local terms energy: -67.330486
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -19.039
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: 137
Temperature: 1.000000
Total energy: -185.743810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.743810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.743810 (E_RNA)
where:
Base-Base interactions energy: -119.100
where: short stacking energy: -56.466
Base-Backbone interact. energy: -0.219
local terms energy: -66.425598
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -169.414324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.414324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.414324 (E_RNA)
where:
Base-Base interactions energy: -109.455
where: short stacking energy: -52.183
Base-Backbone interact. energy: -0.422
local terms energy: -59.537816
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -141.034170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.034170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.034170 (E_RNA)
where:
Base-Base interactions energy: -81.288
where: short stacking energy: -33.962
Base-Backbone interact. energy: -0.783
local terms energy: -58.963534
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -91.236401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.236401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.236401 (E_RNA)
where:
Base-Base interactions energy: -38.723
where: short stacking energy: -38.723
Base-Backbone interact. energy: -0.123
local terms energy: -52.390638
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -9.966
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -8.448
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: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -82.119141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.119141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.119141 (E_RNA)
where:
Base-Base interactions energy: -30.506
where: short stacking energy: -19.970
Base-Backbone interact. energy: -0.133
local terms energy: -51.479878
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -10.447
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: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -82.742637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.742637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.742637 (E_RNA)
where:
Base-Base interactions energy: -31.848
where: short stacking energy: -26.824
Base-Backbone interact. energy: 0.368
local terms energy: -51.262890
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -2.451
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: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -79.560429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.560429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.560429 (E_RNA)
where:
Base-Base interactions energy: -37.413
where: short stacking energy: -35.186
Base-Backbone interact. energy: 4.796
local terms energy: -46.944271
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -68.285608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.285608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.285608 (E_RNA)
where:
Base-Base interactions energy: -18.526
where: short stacking energy: -12.564
Base-Backbone interact. energy: -0.267
local terms energy: -49.493371
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -200.897292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.897292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.897292 (E_RNA)
where:
Base-Base interactions energy: -131.775
where: short stacking energy: -60.374
Base-Backbone interact. energy: -0.000
local terms energy: -69.122524
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -198.863976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.863976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.863976 (E_RNA)
where:
Base-Base interactions energy: -127.154
where: short stacking energy: -48.628
Base-Backbone interact. energy: -0.125
local terms energy: -71.584865
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -21.211
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: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -180.074749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.074749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.074749 (E_RNA)
where:
Base-Base interactions energy: -113.291
where: short stacking energy: -50.547
Base-Backbone interact. energy: -1.019
local terms energy: -65.765295
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -173.841989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.841989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.841989 (E_RNA)
where:
Base-Base interactions energy: -115.924
where: short stacking energy: -53.322
Base-Backbone interact. energy: -0.151
local terms energy: -57.766526
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -141.805439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.805439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.805439 (E_RNA)
where:
Base-Base interactions energy: -86.492
where: short stacking energy: -40.842
Base-Backbone interact. energy: -0.097
local terms energy: -55.216349
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -12.430
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: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -102.031152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.031152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.031152 (E_RNA)
where:
Base-Base interactions energy: -44.786
where: short stacking energy: -44.786
Base-Backbone interact. energy: -0.001
local terms energy: -57.243580
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -87.057551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.057551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.057551 (E_RNA)
where:
Base-Base interactions energy: -34.826
where: short stacking energy: -31.716
Base-Backbone interact. energy: -0.079
local terms energy: -52.152215
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -4.747
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: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -80.654675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.654675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.654675 (E_RNA)
where:
Base-Base interactions energy: -42.766
where: short stacking energy: -24.201
Base-Backbone interact. energy: -0.460
local terms energy: -37.428941
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -8.247
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -1.974
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: 138
Temperature: 1.300000
Total energy: -77.855412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.855412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.855412 (E_RNA)
where:
Base-Base interactions energy: -26.834
where: short stacking energy: -26.834
Base-Backbone interact. energy: -0.104
local terms energy: -50.917730
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -75.505928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.505928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.505928 (E_RNA)
where:
Base-Base interactions energy: -33.673
where: short stacking energy: -29.580
Base-Backbone interact. energy: 1.352
local terms energy: -43.184192
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -204.733366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.733366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.733366 (E_RNA)
where:
Base-Base interactions energy: -134.990
where: short stacking energy: -64.906
Base-Backbone interact. energy: 0.128
local terms energy: -69.870913
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -212.827251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.827251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.827251 (E_RNA)
where:
Base-Base interactions energy: -136.762
where: short stacking energy: -62.030
Base-Backbone interact. energy: -0.059
local terms energy: -76.005594
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -19.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -189.217311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.217311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.217311 (E_RNA)
where:
Base-Base interactions energy: -131.167
where: short stacking energy: -43.811
Base-Backbone interact. energy: -0.318
local terms energy: -57.731986
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -10.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -179.527658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.527658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.527658 (E_RNA)
where:
Base-Base interactions energy: -129.395
where: short stacking energy: -46.101
Base-Backbone interact. energy: -0.323
local terms energy: -49.808682
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -1.571
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -166.201166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.201166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.201166 (E_RNA)
where:
Base-Base interactions energy: -110.329
where: short stacking energy: -48.198
Base-Backbone interact. energy: -0.220
local terms energy: -55.652793
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -93.301497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.301497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.301497 (E_RNA)
where:
Base-Base interactions energy: -34.595
where: short stacking energy: -32.087
Base-Backbone interact. energy: -0.039
local terms energy: -58.667725
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -11.660
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: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -94.195081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.195081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.195081 (E_RNA)
where:
Base-Base interactions energy: -34.030
where: short stacking energy: -33.286
Base-Backbone interact. energy: -0.070
local terms energy: -60.095211
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -10.389
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: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -90.788577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.788577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.788577 (E_RNA)
where:
Base-Base interactions energy: -32.806
where: short stacking energy: -26.108
Base-Backbone interact. energy: 0.716
local terms energy: -58.698854
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -71.558817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.558817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.558817 (E_RNA)
where:
Base-Base interactions energy: -31.780
where: short stacking energy: -23.581
Base-Backbone interact. energy: 1.670
local terms energy: -41.448655
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -6.069
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -75.617425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.617425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.617425 (E_RNA)
where:
Base-Base interactions energy: -27.831
where: short stacking energy: -22.902
Base-Backbone interact. energy: -0.203
local terms energy: -47.583078
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -204.496046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.496046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.496046 (E_RNA)
where:
Base-Base interactions energy: -136.275
where: short stacking energy: -63.068
Base-Backbone interact. energy: -0.166
local terms energy: -68.055170
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -197.901919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.901919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.901919 (E_RNA)
where:
Base-Base interactions energy: -127.582
where: short stacking energy: -60.988
Base-Backbone interact. energy: -0.001
local terms energy: -70.319261
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -191.923889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.923889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.923889 (E_RNA)
where:
Base-Base interactions energy: -133.678
where: short stacking energy: -56.915
Base-Backbone interact. energy: -0.710
local terms energy: -57.535393
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -9.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -177.983945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.983945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.983945 (E_RNA)
where:
Base-Base interactions energy: -113.933
where: short stacking energy: -49.870
Base-Backbone interact. energy: -0.237
local terms energy: -63.814618
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -149.378204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.378204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.378204 (E_RNA)
where:
Base-Base interactions energy: -89.479
where: short stacking energy: -42.369
Base-Backbone interact. energy: -0.046
local terms energy: -59.853250
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -8.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -94.107842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.107842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.107842 (E_RNA)
where:
Base-Base interactions energy: -49.516
where: short stacking energy: -47.571
Base-Backbone interact. energy: -0.105
local terms energy: -44.486357
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -9.060
flat angles C4'-P-C4' energy: -7.330
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -10.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -81.954034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.954034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.954034 (E_RNA)
where:
Base-Base interactions energy: -28.925
where: short stacking energy: -28.925
Base-Backbone interact. energy: -0.728
local terms energy: -52.301162
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -5.514
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: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -89.516022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.516022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.516022 (E_RNA)
where:
Base-Base interactions energy: -37.234
where: short stacking energy: -37.234
Base-Backbone interact. energy: -0.099
local terms energy: -52.183440
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -72.964386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.964386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.964386 (E_RNA)
where:
Base-Base interactions energy: -31.756
where: short stacking energy: -22.842
Base-Backbone interact. energy: -1.339
local terms energy: -39.869603
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -5.073
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: 10, replica: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -78.173296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.173296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.173296 (E_RNA)
where:
Base-Base interactions energy: -27.973
where: short stacking energy: -27.925
Base-Backbone interact. energy: -0.116
local terms energy: -50.083669
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -206.480941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.480941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.480941 (E_RNA)
where:
Base-Base interactions energy: -135.673
where: short stacking energy: -60.082
Base-Backbone interact. energy: -0.001
local terms energy: -70.807097
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -19.497
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: 141
Temperature: 0.950000
Total energy: -197.050551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.050551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.050551 (E_RNA)
where:
Base-Base interactions energy: -137.734
where: short stacking energy: -56.613
Base-Backbone interact. energy: 0.539
local terms energy: -59.855135
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -181.192725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.192725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.192725 (E_RNA)
where:
Base-Base interactions energy: -123.196
where: short stacking energy: -48.830
Base-Backbone interact. energy: -0.113
local terms energy: -57.883666
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: -13.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -160.325206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.325206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.325206 (E_RNA)
where:
Base-Base interactions energy: -94.443
where: short stacking energy: -40.572
Base-Backbone interact. energy: -0.464
local terms energy: -65.418231
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -11.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -165.141002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.141002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.141002 (E_RNA)
where:
Base-Base interactions energy: -94.791
where: short stacking energy: -38.827
Base-Backbone interact. energy: 0.784
local terms energy: -71.133435
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -101.543353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.543353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.543353 (E_RNA)
where:
Base-Base interactions energy: -49.047
where: short stacking energy: -43.844
Base-Backbone interact. energy: -0.178
local terms energy: -52.317950
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -8.790
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: 141
Temperature: 1.200000
Total energy: -86.576926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.576926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.576926 (E_RNA)
where:
Base-Base interactions energy: -30.472
where: short stacking energy: -28.345
Base-Backbone interact. energy: -0.072
local terms energy: -56.032444
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -77.146457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.146457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.146457 (E_RNA)
where:
Base-Base interactions energy: -33.308
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.063
local terms energy: -43.775392
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -80.130053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.130053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.130053 (E_RNA)
where:
Base-Base interactions energy: -28.756
where: short stacking energy: -27.793
Base-Backbone interact. energy: -0.219
local terms energy: -51.155408
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -5.500
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -63.702591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.702591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.702591 (E_RNA)
where:
Base-Base interactions energy: -18.866
where: short stacking energy: -18.866
Base-Backbone interact. energy: -0.253
local terms energy: -44.583256
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -2.170
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: 142
Temperature: 0.900000
Total energy: -209.746916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.746916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.746916 (E_RNA)
where:
Base-Base interactions energy: -144.630
where: short stacking energy: -62.890
Base-Backbone interact. energy: 0.392
local terms energy: -65.509113
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -18.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -207.532100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.532100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.532100 (E_RNA)
where:
Base-Base interactions energy: -137.493
where: short stacking energy: -64.544
Base-Backbone interact. energy: 0.256
local terms energy: -70.294663
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -19.441
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: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -172.954569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.954569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.954569 (E_RNA)
where:
Base-Base interactions energy: -119.563
where: short stacking energy: -50.809
Base-Backbone interact. energy: -0.090
local terms energy: -53.300881
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -0.287
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -162.149371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.149371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.149371 (E_RNA)
where:
Base-Base interactions energy: -102.865
where: short stacking energy: -46.607
Base-Backbone interact. energy: -0.005
local terms energy: -59.279409
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -12.828
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: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -158.319738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.319738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.319738 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -46.872
Base-Backbone interact. energy: -0.111
local terms energy: -51.561246
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -5.490
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -111.260549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.260549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.260549 (E_RNA)
where:
Base-Base interactions energy: -62.141
where: short stacking energy: -37.370
Base-Backbone interact. energy: -0.375
local terms energy: -48.744167
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -92.055369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.055369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.055369 (E_RNA)
where:
Base-Base interactions energy: -34.834
where: short stacking energy: -34.834
Base-Backbone interact. energy: -0.094
local terms energy: -57.128008
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -92.172846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.172846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.172846 (E_RNA)
where:
Base-Base interactions energy: -40.329
where: short stacking energy: -19.767
Base-Backbone interact. energy: -0.442
local terms energy: -51.401390
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -8.205
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: 9, replica: 2
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -79.088358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.088358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.088358 (E_RNA)
where:
Base-Base interactions energy: -33.970
where: short stacking energy: -23.306
Base-Backbone interact. energy: 0.413
local terms energy: -45.530611
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -74.796338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.796338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.796338 (E_RNA)
where:
Base-Base interactions energy: -29.321
where: short stacking energy: -27.601
Base-Backbone interact. energy: -0.037
local terms energy: -45.438440
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -1.552
tors. eta vs tors. theta energy: -5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -213.590845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.590845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.590845 (E_RNA)
where:
Base-Base interactions energy: -144.298
where: short stacking energy: -63.503
Base-Backbone interact. energy: -0.157
local terms energy: -69.136512
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -188.476240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.476240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.476240 (E_RNA)
where:
Base-Base interactions energy: -128.198
where: short stacking energy: -52.269
Base-Backbone interact. energy: -0.443
local terms energy: -59.835182
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -183.760631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.760631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.760631 (E_RNA)
where:
Base-Base interactions energy: -114.648
where: short stacking energy: -49.553
Base-Backbone interact. energy: -0.003
local terms energy: -69.109556
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -179.271976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.271976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.271976 (E_RNA)
where:
Base-Base interactions energy: -114.397
where: short stacking energy: -56.112
Base-Backbone interact. energy: -0.110
local terms energy: -64.764527
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -159.805632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.805632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.805632 (E_RNA)
where:
Base-Base interactions energy: -99.620
where: short stacking energy: -43.773
Base-Backbone interact. energy: 0.412
local terms energy: -60.597536
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -12.463
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: 143
Temperature: 1.150000
Total energy: -85.491052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.491052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.491052 (E_RNA)
where:
Base-Base interactions energy: -38.141
where: short stacking energy: -38.141
Base-Backbone interact. energy: -0.183
local terms energy: -47.167546
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -107.106680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.106680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.106680 (E_RNA)
where:
Base-Base interactions energy: -56.464
where: short stacking energy: -40.096
Base-Backbone interact. energy: -0.070
local terms energy: -50.571909
where:
bonds (distance) C4'-P energy: -9.023
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -6.151
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: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -85.057055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.057055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.057055 (E_RNA)
where:
Base-Base interactions energy: -34.295
where: short stacking energy: -31.977
Base-Backbone interact. energy: -0.033
local terms energy: -50.729388
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -72.338307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.338307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.338307 (E_RNA)
where:
Base-Base interactions energy: -26.069
where: short stacking energy: -22.024
Base-Backbone interact. energy: 1.510
local terms energy: -47.779922
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -10.520
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: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -74.045337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.045337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.045337 (E_RNA)
where:
Base-Base interactions energy: -31.948
where: short stacking energy: -18.735
Base-Backbone interact. energy: -0.194
local terms energy: -41.903311
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: 1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -212.313576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.313576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.313576 (E_RNA)
where:
Base-Base interactions energy: -142.776
where: short stacking energy: -62.505
Base-Backbone interact. energy: -0.353
local terms energy: -69.184871
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -13.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -197.359898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.359898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.359898 (E_RNA)
where:
Base-Base interactions energy: -132.300
where: short stacking energy: -55.669
Base-Backbone interact. energy: -0.007
local terms energy: -65.053074
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -163.350431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.350431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.350431 (E_RNA)
where:
Base-Base interactions energy: -94.933
where: short stacking energy: -43.659
Base-Backbone interact. energy: -0.510
local terms energy: -67.907145
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -15.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -165.222582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.222582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.222582 (E_RNA)
where:
Base-Base interactions energy: -98.731
where: short stacking energy: -41.582
Base-Backbone interact. energy: -0.184
local terms energy: -66.307347
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -12.649
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: 144
Temperature: 1.100000
Total energy: -171.487221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.487221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.487221 (E_RNA)
where:
Base-Base interactions energy: -106.197
where: short stacking energy: -49.370
Base-Backbone interact. energy: -0.029
local terms energy: -65.261712
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -98.809993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.809993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.809993 (E_RNA)
where:
Base-Base interactions energy: -46.822
where: short stacking energy: -32.131
Base-Backbone interact. energy: -0.152
local terms energy: -51.835664
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -7.352
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: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -91.472651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.472651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.472651 (E_RNA)
where:
Base-Base interactions energy: -32.440
where: short stacking energy: -27.220
Base-Backbone interact. energy: -0.015
local terms energy: -59.017710
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -4.592
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: 8, replica: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -113.150760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.150760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.150760 (E_RNA)
where:
Base-Base interactions energy: -57.188
where: short stacking energy: -29.596
Base-Backbone interact. energy: -0.154
local terms energy: -55.808588
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -5.065
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: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -81.354475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.354475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.354475 (E_RNA)
where:
Base-Base interactions energy: -40.746
where: short stacking energy: -18.763
Base-Backbone interact. energy: 1.850
local terms energy: -42.458278
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -7.899
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: 10, replica: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -80.315754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.315754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.315754 (E_RNA)
where:
Base-Base interactions energy: -37.243
where: short stacking energy: -30.637
Base-Backbone interact. energy: -0.345
local terms energy: -42.727814
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -2.163
tors. eta vs tors. theta energy: -3.073
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: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -208.215009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.215009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.215009 (E_RNA)
where:
Base-Base interactions energy: -144.922
where: short stacking energy: -63.098
Base-Backbone interact. energy: -0.075
local terms energy: -63.218009
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -17.803
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: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -204.613145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.613145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.613145 (E_RNA)
where:
Base-Base interactions energy: -136.153
where: short stacking energy: -66.258
Base-Backbone interact. energy: 0.858
local terms energy: -69.317800
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -18.638
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: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -169.431300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.431300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.431300 (E_RNA)
where:
Base-Base interactions energy: -99.629
where: short stacking energy: -49.491
Base-Backbone interact. energy: -0.730
local terms energy: -69.071490
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -167.450540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.450540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.450540 (E_RNA)
where:
Base-Base interactions energy: -106.109
where: short stacking energy: -45.658
Base-Backbone interact. energy: -0.738
local terms energy: -60.603087
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -12.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -160.450527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.450527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.450527 (E_RNA)
where:
Base-Base interactions energy: -106.033
where: short stacking energy: -45.357
Base-Backbone interact. energy: 0.745
local terms energy: -55.162681
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -12.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -110.274825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.274825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.274825 (E_RNA)
where:
Base-Base interactions energy: -49.510
where: short stacking energy: -49.510
Base-Backbone interact. energy: -0.000
local terms energy: -60.764495
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -86.721149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.721149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.721149 (E_RNA)
where:
Base-Base interactions energy: -40.909
where: short stacking energy: -35.805
Base-Backbone interact. energy: -0.045
local terms energy: -45.767168
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -10.054
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -6.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -104.350321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.350321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.350321 (E_RNA)
where:
Base-Base interactions energy: -50.456
where: short stacking energy: -32.427
Base-Backbone interact. energy: -0.431
local terms energy: -53.463461
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -5.952
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: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -70.787825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.787825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.787825 (E_RNA)
where:
Base-Base interactions energy: -26.696
where: short stacking energy: -14.364
Base-Backbone interact. energy: -0.161
local terms energy: -43.930758
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -7.112
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: 10, replica: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -73.857901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.857901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.857901 (E_RNA)
where:
Base-Base interactions energy: -18.655
where: short stacking energy: -18.655
Base-Backbone interact. energy: 0.132
local terms energy: -55.334981
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -10.329
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: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -206.899220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.899220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.899220 (E_RNA)
where:
Base-Base interactions energy: -137.212
where: short stacking energy: -54.510
Base-Backbone interact. energy: -0.521
local terms energy: -69.165395
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -192.337256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.337256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.337256 (E_RNA)
where:
Base-Base interactions energy: -124.270
where: short stacking energy: -62.470
Base-Backbone interact. energy: -0.003
local terms energy: -68.064186
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -163.911513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.911513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.911513 (E_RNA)
where:
Base-Base interactions energy: -106.779
where: short stacking energy: -36.703
Base-Backbone interact. energy: 0.780
local terms energy: -57.912525
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -175.559039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.559039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.559039 (E_RNA)
where:
Base-Base interactions energy: -111.066
where: short stacking energy: -53.779
Base-Backbone interact. energy: -0.046
local terms energy: -64.446405
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -175.865777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.865777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.865777 (E_RNA)
where:
Base-Base interactions energy: -114.342
where: short stacking energy: -52.547
Base-Backbone interact. energy: -0.217
local terms energy: -61.307301
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -12.688
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: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -84.069289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.069289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.069289 (E_RNA)
where:
Base-Base interactions energy: -28.184
where: short stacking energy: -28.184
Base-Backbone interact. energy: -0.164
local terms energy: -55.721056
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -90.544672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.544672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.544672 (E_RNA)
where:
Base-Base interactions energy: -40.339
where: short stacking energy: -19.010
Base-Backbone interact. energy: -0.545
local terms energy: -49.660532
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -0.941
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: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -97.207491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.207491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.207491 (E_RNA)
where:
Base-Base interactions energy: -39.167
where: short stacking energy: -39.167
Base-Backbone interact. energy: 0.593
local terms energy: -58.633602
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -12.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -76.542033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.542033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.542033 (E_RNA)
where:
Base-Base interactions energy: -38.682
where: short stacking energy: -27.357
Base-Backbone interact. energy: -0.223
local terms energy: -37.636621
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -9.699
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -84.057800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.057800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.057800 (E_RNA)
where:
Base-Base interactions energy: -32.867
where: short stacking energy: -32.855
Base-Backbone interact. energy: -0.151
local terms energy: -51.039832
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -213.725228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.725228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.725228 (E_RNA)
where:
Base-Base interactions energy: -139.966
where: short stacking energy: -60.073
Base-Backbone interact. energy: -0.912
local terms energy: -72.846839
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -210.059936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.059936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.059936 (E_RNA)
where:
Base-Base interactions energy: -137.712
where: short stacking energy: -64.059
Base-Backbone interact. energy: -0.127
local terms energy: -72.221404
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -21.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -170.547072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.547072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.547072 (E_RNA)
where:
Base-Base interactions energy: -99.088
where: short stacking energy: -42.826
Base-Backbone interact. energy: -0.120
local terms energy: -71.340054
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -171.262296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.262296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.262296 (E_RNA)
where:
Base-Base interactions energy: -108.662
where: short stacking energy: -55.324
Base-Backbone interact. energy: -0.185
local terms energy: -62.415507
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -153.543707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.543707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.543707 (E_RNA)
where:
Base-Base interactions energy: -99.416
where: short stacking energy: -48.427
Base-Backbone interact. energy: 0.647
local terms energy: -54.775123
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -122.815087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.815087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.815087 (E_RNA)
where:
Base-Base interactions energy: -65.922
where: short stacking energy: -41.204
Base-Backbone interact. energy: -0.149
local terms energy: -56.744819
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -88.039831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.039831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.039831 (E_RNA)
where:
Base-Base interactions energy: -42.061
where: short stacking energy: -28.295
Base-Backbone interact. energy: -0.208
local terms energy: -45.771022
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -4.292
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: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -77.321683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.321683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.321683 (E_RNA)
where:
Base-Base interactions energy: -29.605
where: short stacking energy: -26.304
Base-Backbone interact. energy: -0.252
local terms energy: -47.464069
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -80.948288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.948288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.948288 (E_RNA)
where:
Base-Base interactions energy: -20.166
where: short stacking energy: -20.166
Base-Backbone interact. energy: -0.335
local terms energy: -60.447171
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.002
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: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -78.197547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.197547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.197547 (E_RNA)
where:
Base-Base interactions energy: -31.404
where: short stacking energy: -19.394
Base-Backbone interact. energy: -0.265
local terms energy: -46.528022
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -6.014
flat angles P-C4'-P energy: -11.121
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: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -212.200966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.200966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.200966 (E_RNA)
where:
Base-Base interactions energy: -147.431
where: short stacking energy: -61.162
Base-Backbone interact. energy: -0.712
local terms energy: -64.058554
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -12.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -209.328218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.328218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.328218 (E_RNA)
where:
Base-Base interactions energy: -138.156
where: short stacking energy: -55.300
Base-Backbone interact. energy: -0.001
local terms energy: -71.171937
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -170.369908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.369908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.369908 (E_RNA)
where:
Base-Base interactions energy: -103.483
where: short stacking energy: -51.518
Base-Backbone interact. energy: 0.027
local terms energy: -66.914020
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -155.059577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.059577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.059577 (E_RNA)
where:
Base-Base interactions energy: -92.670
where: short stacking energy: -43.989
Base-Backbone interact. energy: -0.281
local terms energy: -62.108916
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -11.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -162.588751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.588751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.588751 (E_RNA)
where:
Base-Base interactions energy: -100.136
where: short stacking energy: -53.075
Base-Backbone interact. energy: -0.112
local terms energy: -62.340642
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -112.859468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.859468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.859468 (E_RNA)
where:
Base-Base interactions energy: -57.037
where: short stacking energy: -32.104
Base-Backbone interact. energy: -0.981
local terms energy: -54.841319
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -6.843
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: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -94.332927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.332927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.332927 (E_RNA)
where:
Base-Base interactions energy: -35.221
where: short stacking energy: -35.221
Base-Backbone interact. energy: -0.255
local terms energy: -58.857706
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -9.899
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: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -84.873587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.873587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.873587 (E_RNA)
where:
Base-Base interactions energy: -39.344
where: short stacking energy: -20.672
Base-Backbone interact. energy: -1.200
local terms energy: -44.329329
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -2.976
tors. eta vs tors. theta energy: -0.619
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: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -79.819091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.819091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.819091 (E_RNA)
where:
Base-Base interactions energy: -25.873
where: short stacking energy: -25.873
Base-Backbone interact. energy: -0.106
local terms energy: -53.839778
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -10.203
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: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -70.920760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.920760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.920760 (E_RNA)
where:
Base-Base interactions energy: -20.320
where: short stacking energy: -20.136
Base-Backbone interact. energy: -0.140
local terms energy: -50.460689
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: 0.922
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: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -210.186215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.186215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.186215 (E_RNA)
where:
Base-Base interactions energy: -136.009
where: short stacking energy: -60.225
Base-Backbone interact. energy: -0.195
local terms energy: -73.982406
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -17.607
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: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -211.703197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.703197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.703197 (E_RNA)
where:
Base-Base interactions energy: -134.818
where: short stacking energy: -65.418
Base-Backbone interact. energy: -0.032
local terms energy: -76.853515
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -167.215039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.215039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.215039 (E_RNA)
where:
Base-Base interactions energy: -101.340
where: short stacking energy: -50.631
Base-Backbone interact. energy: -0.030
local terms energy: -65.845517
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -15.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -166.217194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.217194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.217194 (E_RNA)
where:
Base-Base interactions energy: -102.163
where: short stacking energy: -43.561
Base-Backbone interact. energy: 0.172
local terms energy: -64.226373
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -13.275
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: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -150.722317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.722317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.722317 (E_RNA)
where:
Base-Base interactions energy: -86.617
where: short stacking energy: -49.672
Base-Backbone interact. energy: -0.033
local terms energy: -64.072267
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -90.744152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.744152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.744152 (E_RNA)
where:
Base-Base interactions energy: -39.481
where: short stacking energy: -39.481
Base-Backbone interact. energy: -1.256
local terms energy: -50.006537
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -6.752
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: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -98.673385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.673385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.673385 (E_RNA)
where:
Base-Base interactions energy: -46.515
where: short stacking energy: -23.344
Base-Backbone interact. energy: -0.265
local terms energy: -51.893179
where:
bonds (distance) C4'-P energy: -9.406
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -81.451291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.451291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.451291 (E_RNA)
where:
Base-Base interactions energy: -34.380
where: short stacking energy: -27.159
Base-Backbone interact. energy: -0.188
local terms energy: -46.883030
where:
bonds (distance) C4'-P energy: -8.606
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -70.561314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.561314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.561314 (E_RNA)
where:
Base-Base interactions energy: -26.011
where: short stacking energy: -24.852
Base-Backbone interact. energy: -0.935
local terms energy: -43.614786
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: 2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -88.042178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.042178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.042178 (E_RNA)
where:
Base-Base interactions energy: -41.886
where: short stacking energy: -26.792
Base-Backbone interact. energy: 0.162
local terms energy: -46.318040
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -12.419
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: 1, replica: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -210.794330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.794330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.794330 (E_RNA)
where:
Base-Base interactions energy: -138.688
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.126
local terms energy: -71.980811
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -19.502
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: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -204.325464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.325464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.325464 (E_RNA)
where:
Base-Base interactions energy: -138.864
where: short stacking energy: -58.133
Base-Backbone interact. energy: -0.006
local terms energy: -65.455618
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -172.432090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.432090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.432090 (E_RNA)
where:
Base-Base interactions energy: -108.512
where: short stacking energy: -58.060
Base-Backbone interact. energy: 0.050
local terms energy: -63.969969
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -3.422
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -159.888345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.888345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.888345 (E_RNA)
where:
Base-Base interactions energy: -94.052
where: short stacking energy: -38.278
Base-Backbone interact. energy: -0.141
local terms energy: -65.695913
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -8.578
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: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -148.288713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.288713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.288713 (E_RNA)
where:
Base-Base interactions energy: -86.024
where: short stacking energy: -36.978
Base-Backbone interact. energy: -0.845
local terms energy: -61.420357
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -86.731946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.731946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.731946 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -17.314
Base-Backbone interact. energy: -0.267
local terms energy: -49.864426
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -9.624
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: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -97.639668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.639668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.639668 (E_RNA)
where:
Base-Base interactions energy: -54.920
where: short stacking energy: -33.588
Base-Backbone interact. energy: 1.806
local terms energy: -44.525937
where:
bonds (distance) C4'-P energy: -6.757
bonds (distance) P-C4' energy: -9.811
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -76.841700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.841700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.841700 (E_RNA)
where:
Base-Base interactions energy: -34.541
where: short stacking energy: -20.952
Base-Backbone interact. energy: -0.286
local terms energy: -42.014732
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: 0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -84.926069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.926069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.926069 (E_RNA)
where:
Base-Base interactions energy: -37.490
where: short stacking energy: -21.104
Base-Backbone interact. energy: -0.056
local terms energy: -47.379930
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -7.639
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: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -83.529035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.529035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.529035 (E_RNA)
where:
Base-Base interactions energy: -33.340
where: short stacking energy: -33.959
Base-Backbone interact. energy: 0.472
local terms energy: -50.660734
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -2.319
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -209.029722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.029722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.029722 (E_RNA)
where:
Base-Base interactions energy: -139.536
where: short stacking energy: -67.182
Base-Backbone interact. energy: 0.824
local terms energy: -70.318557
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -22.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -207.206668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.206668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.206668 (E_RNA)
where:
Base-Base interactions energy: -131.911
where: short stacking energy: -60.172
Base-Backbone interact. energy: -0.002
local terms energy: -75.293837
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -172.089833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.089833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.089833 (E_RNA)
where:
Base-Base interactions energy: -103.947
where: short stacking energy: -48.961
Base-Backbone interact. energy: -0.010
local terms energy: -68.132838
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -157.062302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.062302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.062302 (E_RNA)
where:
Base-Base interactions energy: -96.037
where: short stacking energy: -46.177
Base-Backbone interact. energy: -0.624
local terms energy: -60.401343
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -148.279609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.279609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.279609 (E_RNA)
where:
Base-Base interactions energy: -93.271
where: short stacking energy: -36.048
Base-Backbone interact. energy: -0.167
local terms energy: -54.841449
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -9.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -113.672845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.672845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.672845 (E_RNA)
where:
Base-Base interactions energy: -55.197
where: short stacking energy: -37.104
Base-Backbone interact. energy: 0.985
local terms energy: -59.460863
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -87.696160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.696160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.696160 (E_RNA)
where:
Base-Base interactions energy: -38.849
where: short stacking energy: -23.965
Base-Backbone interact. energy: -0.632
local terms energy: -48.215271
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: 3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -80.962032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.962032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.962032 (E_RNA)
where:
Base-Base interactions energy: -30.201
where: short stacking energy: -30.201
Base-Backbone interact. energy: -0.035
local terms energy: -50.725808
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -7.700
flat angles C4'-P-C4' energy: -8.301
flat angles P-C4'-P energy: -12.294
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: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -70.722307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.722307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.722307 (E_RNA)
where:
Base-Base interactions energy: -25.666
where: short stacking energy: -25.308
Base-Backbone interact. energy: -0.315
local terms energy: -44.740993
where:
bonds (distance) C4'-P energy: -7.356
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -7.584
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: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -75.668982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.668982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.668982 (E_RNA)
where:
Base-Base interactions energy: -25.088
where: short stacking energy: -24.923
Base-Backbone interact. energy: -0.036
local terms energy: -50.544976
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -7.238
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: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -212.066588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.066588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.066588 (E_RNA)
where:
Base-Base interactions energy: -142.888
where: short stacking energy: -61.304
Base-Backbone interact. energy: 0.007
local terms energy: -69.185265
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -209.909802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.909802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.909802 (E_RNA)
where:
Base-Base interactions energy: -138.410
where: short stacking energy: -58.160
Base-Backbone interact. energy: -0.064
local terms energy: -71.435477
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -167.655949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.655949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.655949 (E_RNA)
where:
Base-Base interactions energy: -98.317
where: short stacking energy: -47.760
Base-Backbone interact. energy: 0.842
local terms energy: -70.181535
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -154.897826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.897826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.897826 (E_RNA)
where:
Base-Base interactions energy: -89.796
where: short stacking energy: -49.944
Base-Backbone interact. energy: -0.477
local terms energy: -64.624745
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -12.989
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: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -163.063205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.063205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.063205 (E_RNA)
where:
Base-Base interactions energy: -104.567
where: short stacking energy: -44.927
Base-Backbone interact. energy: 1.235
local terms energy: -59.731678
where:
bonds (distance) C4'-P energy: -7.368
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -95.997734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.997734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.997734 (E_RNA)
where:
Base-Base interactions energy: -36.460
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.058
local terms energy: -59.479450
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -10.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -92.218431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.218431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.218431 (E_RNA)
where:
Base-Base interactions energy: -49.375
where: short stacking energy: -28.464
Base-Backbone interact. energy: -0.269
local terms energy: -42.573991
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -6.598
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: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -79.831186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.831186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.831186 (E_RNA)
where:
Base-Base interactions energy: -31.754
where: short stacking energy: -30.881
Base-Backbone interact. energy: -0.687
local terms energy: -47.389770
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -75.353200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.353200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.353200 (E_RNA)
where:
Base-Base interactions energy: -32.388
where: short stacking energy: -18.566
Base-Backbone interact. energy: -0.291
local terms energy: -42.673972
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: 2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -73.918326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.918326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.918326 (E_RNA)
where:
Base-Base interactions energy: -29.267
where: short stacking energy: -29.267
Base-Backbone interact. energy: -0.007
local terms energy: -44.644620
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -7.994
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: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -209.957745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.957745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.957745 (E_RNA)
where:
Base-Base interactions energy: -137.647
where: short stacking energy: -63.386
Base-Backbone interact. energy: -0.056
local terms energy: -72.254490
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -19.512
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: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -212.030631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.030631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.030631 (E_RNA)
where:
Base-Base interactions energy: -139.069
where: short stacking energy: -65.565
Base-Backbone interact. energy: -0.282
local terms energy: -72.679352
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -167.378501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.378501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.378501 (E_RNA)
where:
Base-Base interactions energy: -105.654
where: short stacking energy: -52.230
Base-Backbone interact. energy: 0.188
local terms energy: -61.912211
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -12.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -155.382166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.382166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.382166 (E_RNA)
where:
Base-Base interactions energy: -95.828
where: short stacking energy: -34.367
Base-Backbone interact. energy: -0.095
local terms energy: -59.459425
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -5.869
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: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -160.647653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.647653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.647653 (E_RNA)
where:
Base-Base interactions energy: -98.181
where: short stacking energy: -40.364
Base-Backbone interact. energy: -0.148
local terms energy: -62.318856
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -106.429330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.429330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.429330 (E_RNA)
where:
Base-Base interactions energy: -46.138
where: short stacking energy: -29.606
Base-Backbone interact. energy: -0.133
local terms energy: -60.157963
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -8.127
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: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -88.307773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.307773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.307773 (E_RNA)
where:
Base-Base interactions energy: -36.337
where: short stacking energy: -31.043
Base-Backbone interact. energy: -0.199
local terms energy: -51.771871
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -2.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -75.546764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.546764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.546764 (E_RNA)
where:
Base-Base interactions energy: -26.175
where: short stacking energy: -21.153
Base-Backbone interact. energy: 1.058
local terms energy: -50.429961
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -5.243
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: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -76.487097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.487097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.487097 (E_RNA)
where:
Base-Base interactions energy: -25.827
where: short stacking energy: -25.827
Base-Backbone interact. energy: -0.075
local terms energy: -50.584470
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -75.836193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.836193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.836193 (E_RNA)
where:
Base-Base interactions energy: -30.079
where: short stacking energy: -26.113
Base-Backbone interact. energy: 2.404
local terms energy: -48.161057
where:
bonds (distance) C4'-P energy: -7.758
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -206.557041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.557041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.557041 (E_RNA)
where:
Base-Base interactions energy: -142.987
where: short stacking energy: -61.614
Base-Backbone interact. energy: -0.030
local terms energy: -63.539878
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -198.764462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.764462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.764462 (E_RNA)
where:
Base-Base interactions energy: -131.966
where: short stacking energy: -64.939
Base-Backbone interact. energy: -0.001
local terms energy: -66.797161
where:
bonds (distance) C4'-P energy: -6.626
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -187.107434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.107434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.107434 (E_RNA)
where:
Base-Base interactions energy: -120.948
where: short stacking energy: -62.847
Base-Backbone interact. energy: -0.069
local terms energy: -66.090452
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -162.766688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.766688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.766688 (E_RNA)
where:
Base-Base interactions energy: -99.203
where: short stacking energy: -52.529
Base-Backbone interact. energy: -0.141
local terms energy: -63.422717
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -164.519758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.519758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.519758 (E_RNA)
where:
Base-Base interactions energy: -101.957
where: short stacking energy: -39.996
Base-Backbone interact. energy: 0.755
local terms energy: -63.317910
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -13.029
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: 154
Temperature: 1.150000
Total energy: -89.804082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.804082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.804082 (E_RNA)
where:
Base-Base interactions energy: -32.539
where: short stacking energy: -29.208
Base-Backbone interact. energy: -0.342
local terms energy: -56.923402
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -8.248
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: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -81.355281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.355281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.355281 (E_RNA)
where:
Base-Base interactions energy: -29.287
where: short stacking energy: -29.287
Base-Backbone interact. energy: -0.104
local terms energy: -51.963656
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -7.411
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -10.552
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: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -98.805972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.805972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.805972 (E_RNA)
where:
Base-Base interactions energy: -52.051
where: short stacking energy: -28.397
Base-Backbone interact. energy: -0.084
local terms energy: -46.671679
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -9.849
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: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -77.400040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.400040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.400040 (E_RNA)
where:
Base-Base interactions energy: -37.674
where: short stacking energy: -16.662
Base-Backbone interact. energy: -0.607
local terms energy: -39.118465
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: 6.059
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: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -77.919002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.919002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.919002 (E_RNA)
where:
Base-Base interactions energy: -29.435
where: short stacking energy: -25.864
Base-Backbone interact. energy: 0.010
local terms energy: -48.493336
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -2.300
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: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -214.019570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.019570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.019570 (E_RNA)
where:
Base-Base interactions energy: -141.148
where: short stacking energy: -62.125
Base-Backbone interact. energy: 0.210
local terms energy: -73.081498
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -181.080596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.080596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.080596 (E_RNA)
where:
Base-Base interactions energy: -110.949
where: short stacking energy: -55.380
Base-Backbone interact. energy: -0.706
local terms energy: -69.425316
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -17.329
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: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -191.960595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.960595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.960595 (E_RNA)
where:
Base-Base interactions energy: -124.858
where: short stacking energy: -59.483
Base-Backbone interact. energy: -0.002
local terms energy: -67.100572
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -179.481380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.481380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.481380 (E_RNA)
where:
Base-Base interactions energy: -114.812
where: short stacking energy: -48.513
Base-Backbone interact. energy: -0.123
local terms energy: -64.546800
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -151.425630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.425630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.425630 (E_RNA)
where:
Base-Base interactions energy: -94.180
where: short stacking energy: -44.563
Base-Backbone interact. energy: 1.964
local terms energy: -59.209407
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -81.969561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.969561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.969561 (E_RNA)
where:
Base-Base interactions energy: -29.305
where: short stacking energy: -26.323
Base-Backbone interact. energy: -0.259
local terms energy: -52.405885
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -2.569
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: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -82.952044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952044 (E_RNA)
where:
Base-Base interactions energy: -34.527
where: short stacking energy: -31.826
Base-Backbone interact. energy: -0.130
local terms energy: -48.295094
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -5.118
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: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -78.376159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.376159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.376159 (E_RNA)
where:
Base-Base interactions energy: -35.348
where: short stacking energy: -23.142
Base-Backbone interact. energy: -0.861
local terms energy: -42.167146
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: 0.213
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: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -79.430863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.430863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.430863 (E_RNA)
where:
Base-Base interactions energy: -31.998
where: short stacking energy: -31.998
Base-Backbone interact. energy: -0.164
local terms energy: -47.268483
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -70.123890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.123890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.123890 (E_RNA)
where:
Base-Base interactions energy: -26.272
where: short stacking energy: -21.742
Base-Backbone interact. energy: -0.694
local terms energy: -43.158614
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -0.453
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: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -213.254272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.254272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.254272 (E_RNA)
where:
Base-Base interactions energy: -140.194
where: short stacking energy: -63.847
Base-Backbone interact. energy: -0.103
local terms energy: -72.956942
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -20.024
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: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -183.905970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.905970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.905970 (E_RNA)
where:
Base-Base interactions energy: -120.427
where: short stacking energy: -56.261
Base-Backbone interact. energy: -0.001
local terms energy: -63.478906
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -185.316272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.316272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.316272 (E_RNA)
where:
Base-Base interactions energy: -115.211
where: short stacking energy: -56.413
Base-Backbone interact. energy: -0.005
local terms energy: -70.099922
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -17.432
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: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -188.971493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.971493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.971493 (E_RNA)
where:
Base-Base interactions energy: -122.782
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.001
local terms energy: -66.189271
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -151.485275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.485275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.485275 (E_RNA)
where:
Base-Base interactions energy: -94.149
where: short stacking energy: -50.993
Base-Backbone interact. energy: -0.075
local terms energy: -57.261247
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -14.991
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: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -94.370874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.370874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.370874 (E_RNA)
where:
Base-Base interactions energy: -39.270
where: short stacking energy: -27.400
Base-Backbone interact. energy: -0.009
local terms energy: -55.091200
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -7.438
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: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -83.517983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.517983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.517983 (E_RNA)
where:
Base-Base interactions energy: -33.723
where: short stacking energy: -29.222
Base-Backbone interact. energy: -0.316
local terms energy: -49.479506
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -10.532
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: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -79.978107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.978107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.978107 (E_RNA)
where:
Base-Base interactions energy: -37.856
where: short stacking energy: -37.856
Base-Backbone interact. energy: -0.267
local terms energy: -41.854940
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -4.012
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: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -80.999008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.999008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.999008 (E_RNA)
where:
Base-Base interactions energy: -33.455
where: short stacking energy: -24.359
Base-Backbone interact. energy: 0.604
local terms energy: -48.148404
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -9.835
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: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -76.572571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.572571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.572571 (E_RNA)
where:
Base-Base interactions energy: -29.866
where: short stacking energy: -27.786
Base-Backbone interact. energy: 0.101
local terms energy: -46.807060
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -3.648
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -211.362805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.362805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.362805 (E_RNA)
where:
Base-Base interactions energy: -134.727
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.002
local terms energy: -76.633080
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -19.712
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: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -178.327511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.327511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.327511 (E_RNA)
where:
Base-Base interactions energy: -107.792
where: short stacking energy: -48.305
Base-Backbone interact. energy: -0.763
local terms energy: -69.772685
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -13.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -173.052981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.052981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.052981 (E_RNA)
where:
Base-Base interactions energy: -104.599
where: short stacking energy: -44.537
Base-Backbone interact. energy: -1.405
local terms energy: -67.048966
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -12.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -190.074350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.074350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.074350 (E_RNA)
where:
Base-Base interactions energy: -122.854
where: short stacking energy: -57.576
Base-Backbone interact. energy: -0.001
local terms energy: -67.219572
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -149.105957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.105957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.105957 (E_RNA)
where:
Base-Base interactions energy: -93.492
where: short stacking energy: -48.093
Base-Backbone interact. energy: -0.167
local terms energy: -55.446747
where:
bonds (distance) C4'-P energy: -8.560
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -9.153
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: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -94.766906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.766906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.766906 (E_RNA)
where:
Base-Base interactions energy: -33.436
where: short stacking energy: -22.352
Base-Backbone interact. energy: -0.872
local terms energy: -60.458772
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -9.002
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: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -82.797124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.797124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.797124 (E_RNA)
where:
Base-Base interactions energy: -33.203
where: short stacking energy: -22.723
Base-Backbone interact. energy: 0.554
local terms energy: -50.148679
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: 1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -83.129857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.129857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.129857 (E_RNA)
where:
Base-Base interactions energy: -35.255
where: short stacking energy: -35.255
Base-Backbone interact. energy: -0.005
local terms energy: -47.870374
where:
bonds (distance) C4'-P energy: -6.259
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -10.117
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: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -72.571601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.571601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.571601 (E_RNA)
where:
Base-Base interactions energy: -25.931
where: short stacking energy: -23.001
Base-Backbone interact. energy: 0.404
local terms energy: -47.043904
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: 2.468
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: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -86.039545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.039545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.039545 (E_RNA)
where:
Base-Base interactions energy: -43.093
where: short stacking energy: -21.577
Base-Backbone interact. energy: -0.083
local terms energy: -42.863657
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -2.260
tors. eta vs tors. theta energy: -1.577
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: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -193.404090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.404090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.404090 (E_RNA)
where:
Base-Base interactions energy: -124.918
where: short stacking energy: -51.423
Base-Backbone interact. energy: -0.002
local terms energy: -68.484448
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -15.745
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: 9
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -168.874627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.874627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.874627 (E_RNA)
where:
Base-Base interactions energy: -106.205
where: short stacking energy: -50.338
Base-Backbone interact. energy: -0.215
local terms energy: -62.454427
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -186.912576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.912576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.912576 (E_RNA)
where:
Base-Base interactions energy: -118.647
where: short stacking energy: -54.312
Base-Backbone interact. energy: -0.111
local terms energy: -68.154322
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -197.064125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.064125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.064125 (E_RNA)
where:
Base-Base interactions energy: -121.262
where: short stacking energy: -57.336
Base-Backbone interact. energy: -0.171
local terms energy: -75.630652
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -99.240529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.240529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.240529 (E_RNA)
where:
Base-Base interactions energy: -44.224
where: short stacking energy: -40.343
Base-Backbone interact. energy: -0.005
local terms energy: -55.012188
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -13.419
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: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -143.939521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.939521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.939521 (E_RNA)
where:
Base-Base interactions energy: -83.539
where: short stacking energy: -43.112
Base-Backbone interact. energy: -0.115
local terms energy: -60.285610
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -78.646555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.646555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.646555 (E_RNA)
where:
Base-Base interactions energy: -34.804
where: short stacking energy: -21.252
Base-Backbone interact. energy: -0.183
local terms energy: -43.659756
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: 5.532
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: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -81.871535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.871535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.871535 (E_RNA)
where:
Base-Base interactions energy: -28.398
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.125
local terms energy: -53.348555
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -79.926212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.926212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.926212 (E_RNA)
where:
Base-Base interactions energy: -38.894
where: short stacking energy: -23.234
Base-Backbone interact. energy: -0.275
local terms energy: -40.757814
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -6.401
flat angles P-C4'-P energy: -9.963
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: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -68.331035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.331035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.331035 (E_RNA)
where:
Base-Base interactions energy: -25.315
where: short stacking energy: -25.315
Base-Backbone interact. energy: -0.086
local terms energy: -42.930683
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -211.941433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.941433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.941433 (E_RNA)
where:
Base-Base interactions energy: -132.605
where: short stacking energy: -55.313
Base-Backbone interact. energy: 1.391
local terms energy: -80.727735
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -195.997772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.997772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.997772 (E_RNA)
where:
Base-Base interactions energy: -130.791
where: short stacking energy: -64.773
Base-Backbone interact. energy: 0.310
local terms energy: -65.516795
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -15.682
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: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -174.390488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.390488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.390488 (E_RNA)
where:
Base-Base interactions energy: -106.373
where: short stacking energy: -42.341
Base-Backbone interact. energy: -0.070
local terms energy: -67.947591
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -12.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -189.318465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.318465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.318465 (E_RNA)
where:
Base-Base interactions energy: -129.804
where: short stacking energy: -57.240
Base-Backbone interact. energy: -0.001
local terms energy: -59.512848
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -1.839
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -92.542511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.542511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.542511 (E_RNA)
where:
Base-Base interactions energy: -43.653
where: short stacking energy: -28.835
Base-Backbone interact. energy: -0.188
local terms energy: -48.701070
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -6.712
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -4.680
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: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -89.089172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.089172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.089172 (E_RNA)
where:
Base-Base interactions energy: -48.113
where: short stacking energy: -27.634
Base-Backbone interact. energy: -0.037
local terms energy: -40.939923
where:
bonds (distance) C4'-P energy: -7.798
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -150.192150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.192150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.192150 (E_RNA)
where:
Base-Base interactions energy: -96.863
where: short stacking energy: -47.822
Base-Backbone interact. energy: -0.738
local terms energy: -52.590972
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -8.788
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -13.539
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: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -92.759607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.759607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.759607 (E_RNA)
where:
Base-Base interactions energy: -38.614
where: short stacking energy: -38.614
Base-Backbone interact. energy: 1.081
local terms energy: -55.226616
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -74.901500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.901500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.901500 (E_RNA)
where:
Base-Base interactions energy: -26.224
where: short stacking energy: -23.369
Base-Backbone interact. energy: 0.074
local terms energy: -48.751344
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -5.400
flat angles P-C4'-P energy: -9.158
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: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -78.264268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.264268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.264268 (E_RNA)
where:
Base-Base interactions energy: -44.125
where: short stacking energy: -20.780
Base-Backbone interact. energy: 0.961
local terms energy: -35.100319
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -6.361
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: 2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -204.331530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.331530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.331530 (E_RNA)
where:
Base-Base interactions energy: -133.030
where: short stacking energy: -53.930
Base-Backbone interact. energy: -0.594
local terms energy: -70.707482
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -197.379084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.379084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.379084 (E_RNA)
where:
Base-Base interactions energy: -135.068
where: short stacking energy: -57.876
Base-Backbone interact. energy: -0.094
local terms energy: -62.216608
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -184.274409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.274409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.274409 (E_RNA)
where:
Base-Base interactions energy: -112.254
where: short stacking energy: -51.511
Base-Backbone interact. energy: -0.060
local terms energy: -71.959976
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -166.139286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.139286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.139286 (E_RNA)
where:
Base-Base interactions energy: -99.191
where: short stacking energy: -42.771
Base-Backbone interact. energy: -0.214
local terms energy: -66.734588
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -13.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -110.316768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.316768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.316768 (E_RNA)
where:
Base-Base interactions energy: -50.317
where: short stacking energy: -33.589
Base-Backbone interact. energy: -0.142
local terms energy: -59.857317
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -89.082676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.082676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.082676 (E_RNA)
where:
Base-Base interactions energy: -41.300
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.208
local terms energy: -47.574584
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -4.027
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: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -145.987549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.987549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.987549 (E_RNA)
where:
Base-Base interactions energy: -89.921
where: short stacking energy: -33.347
Base-Backbone interact. energy: -1.029
local terms energy: -55.037467
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -9.738
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: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -84.430768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.430768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.430768 (E_RNA)
where:
Base-Base interactions energy: -35.996
where: short stacking energy: -30.743
Base-Backbone interact. energy: -0.206
local terms energy: -48.228496
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -7.724
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: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -84.394203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.394203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.394203 (E_RNA)
where:
Base-Base interactions energy: -35.806
where: short stacking energy: -30.227
Base-Backbone interact. energy: -0.016
local terms energy: -48.572224
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -7.022
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: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -72.203027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.203027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.203027 (E_RNA)
where:
Base-Base interactions energy: -29.081
where: short stacking energy: -24.826
Base-Backbone interact. energy: -0.547
local terms energy: -42.575263
where:
bonds (distance) C4'-P energy: -7.168
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -11.379
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: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -205.724951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.724951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.724951 (E_RNA)
where:
Base-Base interactions energy: -133.641
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.542
local terms energy: -71.541286
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -206.154046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.154046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.154046 (E_RNA)
where:
Base-Base interactions energy: -142.972
where: short stacking energy: -62.297
Base-Backbone interact. energy: -0.003
local terms energy: -63.179085
where:
bonds (distance) C4'-P energy: -7.191
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -19.922
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: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -166.432560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.432560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.432560 (E_RNA)
where:
Base-Base interactions energy: -102.696
where: short stacking energy: -40.612
Base-Backbone interact. energy: -0.301
local terms energy: -63.435286
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -11.905
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: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -177.653865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.653865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.653865 (E_RNA)
where:
Base-Base interactions energy: -106.605
where: short stacking energy: -50.766
Base-Backbone interact. energy: -0.228
local terms energy: -70.821098
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -107.159486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.159486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.159486 (E_RNA)
where:
Base-Base interactions energy: -48.632
where: short stacking energy: -38.960
Base-Backbone interact. energy: -0.958
local terms energy: -57.569626
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -9.793
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: 161
Temperature: 1.150000
Total energy: -166.383587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.383587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.383587 (E_RNA)
where:
Base-Base interactions energy: -107.285
where: short stacking energy: -43.411
Base-Backbone interact. energy: -0.149
local terms energy: -58.950100
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -10.295
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: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -89.833290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.833290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.833290 (E_RNA)
where:
Base-Base interactions energy: -36.054
where: short stacking energy: -22.697
Base-Backbone interact. energy: -0.438
local terms energy: -53.341343
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -110.949672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.949672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.949672 (E_RNA)
where:
Base-Base interactions energy: -64.104
where: short stacking energy: -36.283
Base-Backbone interact. energy: 1.232
local terms energy: -48.077431
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -76.481025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.481025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.481025 (E_RNA)
where:
Base-Base interactions energy: -41.336
where: short stacking energy: -28.508
Base-Backbone interact. energy: -0.347
local terms energy: -34.798460
where:
bonds (distance) C4'-P energy: -3.882
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -4.259
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: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -69.008461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.008461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.008461 (E_RNA)
where:
Base-Base interactions energy: -23.806
where: short stacking energy: -20.937
Base-Backbone interact. energy: 0.325
local terms energy: -45.528211
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -5.180
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: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -212.089012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.089012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.089012 (E_RNA)
where:
Base-Base interactions energy: -139.116
where: short stacking energy: -63.398
Base-Backbone interact. energy: -0.048
local terms energy: -72.925820
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -21.310
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: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -208.861263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.861263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.861263 (E_RNA)
where:
Base-Base interactions energy: -133.543
where: short stacking energy: -58.660
Base-Backbone interact. energy: -0.094
local terms energy: -75.224164
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -176.603473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.603473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.603473 (E_RNA)
where:
Base-Base interactions energy: -115.639
where: short stacking energy: -54.200
Base-Backbone interact. energy: -0.167
local terms energy: -60.797882
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -15.860
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: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -162.539081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.539081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.539081 (E_RNA)
where:
Base-Base interactions energy: -97.111
where: short stacking energy: -51.050
Base-Backbone interact. energy: -0.085
local terms energy: -65.343180
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -166.939981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.939981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.939981 (E_RNA)
where:
Base-Base interactions energy: -106.295
where: short stacking energy: -48.839
Base-Backbone interact. energy: -0.198
local terms energy: -60.447663
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -83.431113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.431113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.431113 (E_RNA)
where:
Base-Base interactions energy: -38.797
where: short stacking energy: -36.161
Base-Backbone interact. energy: -0.262
local terms energy: -44.371318
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -88.221960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.221960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.221960 (E_RNA)
where:
Base-Base interactions energy: -41.972
where: short stacking energy: -24.688
Base-Backbone interact. energy: -0.186
local terms energy: -46.064328
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -10.257
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: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -76.901718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.901718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.901718 (E_RNA)
where:
Base-Base interactions energy: -27.998
where: short stacking energy: -27.998
Base-Backbone interact. energy: 0.005
local terms energy: -48.908797
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -80.287310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.287310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.287310 (E_RNA)
where:
Base-Base interactions energy: -40.852
where: short stacking energy: -22.573
Base-Backbone interact. energy: -1.309
local terms energy: -38.127028
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -6.161
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -9.497
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: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -84.421847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.421847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.421847 (E_RNA)
where:
Base-Base interactions energy: -40.474
where: short stacking energy: -23.875
Base-Backbone interact. energy: -0.487
local terms energy: -43.460353
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -6.638
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -203.435164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.435164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.435164 (E_RNA)
where:
Base-Base interactions energy: -134.100
where: short stacking energy: -57.056
Base-Backbone interact. energy: -0.161
local terms energy: -69.174298
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -179.886182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.886182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.886182 (E_RNA)
where:
Base-Base interactions energy: -109.047
where: short stacking energy: -60.278
Base-Backbone interact. energy: -0.054
local terms energy: -70.785170
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -199.392551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.392551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.392551 (E_RNA)
where:
Base-Base interactions energy: -136.550
where: short stacking energy: -60.596
Base-Backbone interact. energy: -0.004
local terms energy: -62.838916
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -164.962236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.962236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.962236 (E_RNA)
where:
Base-Base interactions energy: -100.529
where: short stacking energy: -50.255
Base-Backbone interact. energy: -0.067
local terms energy: -64.365793
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -141.261910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.261910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.261910 (E_RNA)
where:
Base-Base interactions energy: -88.104
where: short stacking energy: -45.413
Base-Backbone interact. energy: 1.527
local terms energy: -54.684921
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -94.383661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.383661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.383661 (E_RNA)
where:
Base-Base interactions energy: -50.766
where: short stacking energy: -17.211
Base-Backbone interact. energy: -0.172
local terms energy: -43.445710
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: 4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -106.852166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.852166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.852166 (E_RNA)
where:
Base-Base interactions energy: -56.639
where: short stacking energy: -32.688
Base-Backbone interact. energy: -0.131
local terms energy: -50.082219
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -4.750
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: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -72.330253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.330253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.330253 (E_RNA)
where:
Base-Base interactions energy: -20.808
where: short stacking energy: -19.155
Base-Backbone interact. energy: -0.268
local terms energy: -51.254155
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -7.980
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -73.848205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.848205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.848205 (E_RNA)
where:
Base-Base interactions energy: -33.316
where: short stacking energy: -25.535
Base-Backbone interact. energy: 0.885
local terms energy: -41.416956
where:
bonds (distance) C4'-P energy: -7.538
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -4.598
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: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -75.712605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.712605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.712605 (E_RNA)
where:
Base-Base interactions energy: -33.637
where: short stacking energy: -25.554
Base-Backbone interact. energy: -0.002
local terms energy: -42.073650
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -2.127
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: 1, replica: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -203.894955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.894955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.894955 (E_RNA)
where:
Base-Base interactions energy: -131.255
where: short stacking energy: -61.203
Base-Backbone interact. energy: -0.120
local terms energy: -72.519119
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -182.760956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.760956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.760956 (E_RNA)
where:
Base-Base interactions energy: -115.004
where: short stacking energy: -55.789
Base-Backbone interact. energy: -0.018
local terms energy: -67.738832
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -20.525
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: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -202.424224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.424224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.424224 (E_RNA)
where:
Base-Base interactions energy: -129.923
where: short stacking energy: -52.602
Base-Backbone interact. energy: -0.443
local terms energy: -72.058684
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -165.832875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.832875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.832875 (E_RNA)
where:
Base-Base interactions energy: -99.850
where: short stacking energy: -39.771
Base-Backbone interact. energy: -0.085
local terms energy: -65.898143
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -152.656328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.656328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.656328 (E_RNA)
where:
Base-Base interactions energy: -89.191
where: short stacking energy: -50.785
Base-Backbone interact. energy: -0.428
local terms energy: -63.036881
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -86.672087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.672087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.672087 (E_RNA)
where:
Base-Base interactions energy: -39.373
where: short stacking energy: -26.733
Base-Backbone interact. energy: -0.228
local terms energy: -47.070740
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -6.924
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: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -102.778408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.778408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.778408 (E_RNA)
where:
Base-Base interactions energy: -51.739
where: short stacking energy: -30.478
Base-Backbone interact. energy: -0.113
local terms energy: -50.926659
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -7.995
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: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -81.120986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.120986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.120986 (E_RNA)
where:
Base-Base interactions energy: -37.604
where: short stacking energy: -27.755
Base-Backbone interact. energy: -0.249
local terms energy: -43.268491
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -8.094
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -8.967
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: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -94.948795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.948795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.948795 (E_RNA)
where:
Base-Base interactions energy: -47.186
where: short stacking energy: -30.841
Base-Backbone interact. energy: -0.238
local terms energy: -47.524502
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -4.606
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: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -73.103748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.103748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.103748 (E_RNA)
where:
Base-Base interactions energy: -28.074
where: short stacking energy: -27.757
Base-Backbone interact. energy: -0.105
local terms energy: -44.924239
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -6.278
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: 1, replica: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -204.944153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.944153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.944153 (E_RNA)
where:
Base-Base interactions energy: -134.300
where: short stacking energy: -62.978
Base-Backbone interact. energy: -0.008
local terms energy: -70.635821
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -17.102
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: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -203.165300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.165300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.165300 (E_RNA)
where:
Base-Base interactions energy: -133.297
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.001
local terms energy: -69.867573
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -177.547451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.547451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.547451 (E_RNA)
where:
Base-Base interactions energy: -109.008
where: short stacking energy: -50.881
Base-Backbone interact. energy: -0.005
local terms energy: -68.534707
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -18.905
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: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -148.749892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.749892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.749892 (E_RNA)
where:
Base-Base interactions energy: -97.701
where: short stacking energy: -35.602
Base-Backbone interact. energy: -0.070
local terms energy: -50.978561
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -6.086
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: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -172.852749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.852749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.852749 (E_RNA)
where:
Base-Base interactions energy: -109.006
where: short stacking energy: -50.986
Base-Backbone interact. energy: -0.004
local terms energy: -63.842282
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -11.373
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: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -89.735903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.735903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.735903 (E_RNA)
where:
Base-Base interactions energy: -32.945
where: short stacking energy: -32.945
Base-Backbone interact. energy: -0.042
local terms energy: -56.748425
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -10.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -82.481858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.481858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.481858 (E_RNA)
where:
Base-Base interactions energy: -26.367
where: short stacking energy: -26.311
Base-Backbone interact. energy: 0.231
local terms energy: -56.345769
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -7.656
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: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -100.164925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.164925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.164925 (E_RNA)
where:
Base-Base interactions energy: -41.608
where: short stacking energy: -36.305
Base-Backbone interact. energy: -0.596
local terms energy: -57.960545
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -67.942181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.942181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.942181 (E_RNA)
where:
Base-Base interactions energy: -24.563
where: short stacking energy: -14.522
Base-Backbone interact. energy: 0.334
local terms energy: -43.712878
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: 3.382
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: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -76.867676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.867676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.867676 (E_RNA)
where:
Base-Base interactions energy: -40.618
where: short stacking energy: -24.621
Base-Backbone interact. energy: 0.731
local terms energy: -36.981153
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -3.291
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: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -208.700094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.700094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.700094 (E_RNA)
where:
Base-Base interactions energy: -133.533
where: short stacking energy: -60.822
Base-Backbone interact. energy: -0.001
local terms energy: -75.166705
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -20.249
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: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -200.742680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.742680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.742680 (E_RNA)
where:
Base-Base interactions energy: -128.316
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.490
local terms energy: -71.936459
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -20.059
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: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -171.062823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.062823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.062823 (E_RNA)
where:
Base-Base interactions energy: -108.540
where: short stacking energy: -50.866
Base-Backbone interact. energy: -0.247
local terms energy: -62.276132
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -14.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -174.490018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.490018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.490018 (E_RNA)
where:
Base-Base interactions energy: -115.400
where: short stacking energy: -53.252
Base-Backbone interact. energy: -0.098
local terms energy: -58.992226
where:
bonds (distance) C4'-P energy: -8.871
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -175.816548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.816548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.816548 (E_RNA)
where:
Base-Base interactions energy: -107.155
where: short stacking energy: -44.134
Base-Backbone interact. energy: -0.711
local terms energy: -67.949902
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -90.330676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.330676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.330676 (E_RNA)
where:
Base-Base interactions energy: -40.892
where: short stacking energy: -39.768
Base-Backbone interact. energy: 0.693
local terms energy: -50.131284
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.992
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: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -95.890645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.890645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.890645 (E_RNA)
where:
Base-Base interactions energy: -45.882
where: short stacking energy: -34.925
Base-Backbone interact. energy: -0.542
local terms energy: -49.466688
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: 0.249
tors. eta vs tors. theta energy: -11.965
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: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -76.318488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.318488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.318488 (E_RNA)
where:
Base-Base interactions energy: -29.376
where: short stacking energy: -21.055
Base-Backbone interact. energy: 1.211
local terms energy: -48.153290
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -9.593
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -8.067
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: 9, replica: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -80.511098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.511098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.511098 (E_RNA)
where:
Base-Base interactions energy: -20.396
where: short stacking energy: -20.396
Base-Backbone interact. energy: -0.079
local terms energy: -60.035685
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -10.348
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: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -69.417086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.417086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.417086 (E_RNA)
where:
Base-Base interactions energy: -24.220
where: short stacking energy: -24.220
Base-Backbone interact. energy: 0.796
local terms energy: -45.992582
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -7.966
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -4.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -199.319034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.319034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.319034 (E_RNA)
where:
Base-Base interactions energy: -127.357
where: short stacking energy: -66.428
Base-Backbone interact. energy: -0.380
local terms energy: -71.581864
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -212.016298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016298 (E_RNA)
where:
Base-Base interactions energy: -144.189
where: short stacking energy: -63.877
Base-Backbone interact. energy: -0.124
local terms energy: -67.703561
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -21.777
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: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -168.442409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.442409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.442409 (E_RNA)
where:
Base-Base interactions energy: -108.184
where: short stacking energy: -51.716
Base-Backbone interact. energy: -0.047
local terms energy: -60.211523
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -9.853
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -172.821457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.821457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.821457 (E_RNA)
where:
Base-Base interactions energy: -105.422
where: short stacking energy: -46.020
Base-Backbone interact. energy: -0.088
local terms energy: -67.310977
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -169.074811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.074811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.074811 (E_RNA)
where:
Base-Base interactions energy: -107.005
where: short stacking energy: -45.045
Base-Backbone interact. energy: -0.146
local terms energy: -61.923962
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -85.271298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.271298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.271298 (E_RNA)
where:
Base-Base interactions energy: -30.002
where: short stacking energy: -23.151
Base-Backbone interact. energy: -0.098
local terms energy: -55.172039
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -5.245
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: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -88.247401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.247401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.247401 (E_RNA)
where:
Base-Base interactions energy: -34.696
where: short stacking energy: -24.853
Base-Backbone interact. energy: -0.224
local terms energy: -53.327537
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -3.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -80.194948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.194948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.194948 (E_RNA)
where:
Base-Base interactions energy: -26.120
where: short stacking energy: -25.643
Base-Backbone interact. energy: -0.126
local terms energy: -53.948793
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -6.673
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: 9, replica: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -72.436922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.436922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.436922 (E_RNA)
where:
Base-Base interactions energy: -31.176
where: short stacking energy: -26.742
Base-Backbone interact. energy: -0.136
local terms energy: -41.124336
where:
bonds (distance) C4'-P energy: -3.921
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -80.650228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.650228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.650228 (E_RNA)
where:
Base-Base interactions energy: -35.994
where: short stacking energy: -30.605
Base-Backbone interact. energy: -0.174
local terms energy: -44.482203
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -6.607
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: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -211.346307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.346307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.346307 (E_RNA)
where:
Base-Base interactions energy: -132.899
where: short stacking energy: -59.629
Base-Backbone interact. energy: -0.001
local terms energy: -78.446346
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -204.477232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.477232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.477232 (E_RNA)
where:
Base-Base interactions energy: -130.057
where: short stacking energy: -54.185
Base-Backbone interact. energy: -0.080
local terms energy: -74.339704
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -18.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -176.522730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.522730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.522730 (E_RNA)
where:
Base-Base interactions energy: -107.491
where: short stacking energy: -48.200
Base-Backbone interact. energy: -0.950
local terms energy: -68.082396
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -157.976572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.976572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.976572 (E_RNA)
where:
Base-Base interactions energy: -90.020
where: short stacking energy: -46.481
Base-Backbone interact. energy: -0.214
local terms energy: -67.742591
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -167.276935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.276935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.276935 (E_RNA)
where:
Base-Base interactions energy: -107.836
where: short stacking energy: -47.088
Base-Backbone interact. energy: 0.027
local terms energy: -59.467576
where:
bonds (distance) C4'-P energy: -6.494
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -88.355412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.355412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.355412 (E_RNA)
where:
Base-Base interactions energy: -37.462
where: short stacking energy: -34.639
Base-Backbone interact. energy: -0.010
local terms energy: -50.883914
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -7.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -93.005472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.005472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.005472 (E_RNA)
where:
Base-Base interactions energy: -43.888
where: short stacking energy: -27.299
Base-Backbone interact. energy: -0.027
local terms energy: -49.089883
where:
bonds (distance) C4'-P energy: -7.761
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -3.875
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: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -78.405457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.405457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.405457 (E_RNA)
where:
Base-Base interactions energy: -34.138
where: short stacking energy: -34.338
Base-Backbone interact. energy: 0.919
local terms energy: -45.186880
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -8.704
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -10.301
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: 9, replica: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -93.174411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.174411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.174411 (E_RNA)
where:
Base-Base interactions energy: -43.806
where: short stacking energy: -29.222
Base-Backbone interact. energy: 0.240
local terms energy: -49.608137
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -6.852
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: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -72.595498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.595498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.595498 (E_RNA)
where:
Base-Base interactions energy: -25.193
where: short stacking energy: -23.340
Base-Backbone interact. energy: 0.191
local terms energy: -47.593825
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -202.464718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.464718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.464718 (E_RNA)
where:
Base-Base interactions energy: -134.285
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.486
local terms energy: -67.692971
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -196.446018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.446018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.446018 (E_RNA)
where:
Base-Base interactions energy: -122.222
where: short stacking energy: -57.013
Base-Backbone interact. energy: -0.143
local terms energy: -74.081689
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -164.357969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.357969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.357969 (E_RNA)
where:
Base-Base interactions energy: -106.467
where: short stacking energy: -48.663
Base-Backbone interact. energy: -0.522
local terms energy: -57.369412
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -178.922198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.922198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.922198 (E_RNA)
where:
Base-Base interactions energy: -110.309
where: short stacking energy: -45.937
Base-Backbone interact. energy: -0.003
local terms energy: -68.610459
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -155.055081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.055081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.055081 (E_RNA)
where:
Base-Base interactions energy: -93.943
where: short stacking energy: -45.989
Base-Backbone interact. energy: -0.485
local terms energy: -60.627275
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -12.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -92.971666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.971666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.971666 (E_RNA)
where:
Base-Base interactions energy: -42.341
where: short stacking energy: -42.341
Base-Backbone interact. energy: -0.271
local terms energy: -50.358998
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -87.257567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.257567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.257567 (E_RNA)
where:
Base-Base interactions energy: -27.949
where: short stacking energy: -27.949
Base-Backbone interact. energy: -1.208
local terms energy: -58.100196
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -91.713431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.713431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.713431 (E_RNA)
where:
Base-Base interactions energy: -49.032
where: short stacking energy: -28.567
Base-Backbone interact. energy: -0.426
local terms energy: -42.255146
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -3.101
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: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -78.744185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.744185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.744185 (E_RNA)
where:
Base-Base interactions energy: -34.509
where: short stacking energy: -20.047
Base-Backbone interact. energy: -0.347
local terms energy: -43.887727
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: 0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -71.867590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.867590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.867590 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -24.816
Base-Backbone interact. energy: 2.515
local terms energy: -43.095695
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -5.666
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: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -214.394700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.394700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.394700 (E_RNA)
where:
Base-Base interactions energy: -144.216
where: short stacking energy: -66.422
Base-Backbone interact. energy: -0.180
local terms energy: -69.998675
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -21.078
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: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -187.223375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.223375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.223375 (E_RNA)
where:
Base-Base interactions energy: -115.088
where: short stacking energy: -48.371
Base-Backbone interact. energy: 1.071
local terms energy: -73.206926
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -14.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -170.232395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.232395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.232395 (E_RNA)
where:
Base-Base interactions energy: -104.516
where: short stacking energy: -56.386
Base-Backbone interact. energy: -0.282
local terms energy: -65.434265
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -17.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -168.752111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.752111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.752111 (E_RNA)
where:
Base-Base interactions energy: -109.535
where: short stacking energy: -41.976
Base-Backbone interact. energy: -0.123
local terms energy: -59.093932
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -5.518
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: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -146.273143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.273143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.273143 (E_RNA)
where:
Base-Base interactions energy: -87.681
where: short stacking energy: -40.625
Base-Backbone interact. energy: -0.075
local terms energy: -58.517354
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -7.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -129.887009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.887009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.887009 (E_RNA)
where:
Base-Base interactions energy: -76.716
where: short stacking energy: -40.750
Base-Backbone interact. energy: -0.868
local terms energy: -52.303113
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -5.978
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -9.649
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: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -93.370048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.370048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.370048 (E_RNA)
where:
Base-Base interactions energy: -44.539
where: short stacking energy: -25.592
Base-Backbone interact. energy: -0.293
local terms energy: -48.538119
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -75.665334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.665334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.665334 (E_RNA)
where:
Base-Base interactions energy: -27.387
where: short stacking energy: -20.264
Base-Backbone interact. energy: -1.499
local terms energy: -46.779608
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -6.259
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: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -86.356160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.356160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.356160 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -26.038
Base-Backbone interact. energy: -0.140
local terms energy: -51.039756
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -84.971969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.971969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.971969 (E_RNA)
where:
Base-Base interactions energy: -29.066
where: short stacking energy: -29.066
Base-Backbone interact. energy: -0.224
local terms energy: -55.682327
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -206.745449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.745449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.745449 (E_RNA)
where:
Base-Base interactions energy: -128.701
where: short stacking energy: -57.698
Base-Backbone interact. energy: -0.129
local terms energy: -77.915499
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -21.502
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: 2, replica: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -191.678191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.678191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.678191 (E_RNA)
where:
Base-Base interactions energy: -124.088
where: short stacking energy: -60.465
Base-Backbone interact. energy: -0.072
local terms energy: -67.517703
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -165.237842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.237842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.237842 (E_RNA)
where:
Base-Base interactions energy: -102.001
where: short stacking energy: -49.227
Base-Backbone interact. energy: -0.880
local terms energy: -62.357193
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -11.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -144.665765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.665765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.665765 (E_RNA)
where:
Base-Base interactions energy: -87.590
where: short stacking energy: -40.975
Base-Backbone interact. energy: -0.125
local terms energy: -56.951188
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -8.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -161.903575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.903575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.903575 (E_RNA)
where:
Base-Base interactions energy: -107.762
where: short stacking energy: -50.241
Base-Backbone interact. energy: -0.004
local terms energy: -54.137572
where:
bonds (distance) C4'-P energy: -8.694
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -9.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -96.777203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.777203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.777203 (E_RNA)
where:
Base-Base interactions energy: -43.843
where: short stacking energy: -20.599
Base-Backbone interact. energy: 0.758
local terms energy: -53.692771
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: 0.210
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: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -135.511498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.511498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.511498 (E_RNA)
where:
Base-Base interactions energy: -75.232
where: short stacking energy: -34.201
Base-Backbone interact. energy: -0.866
local terms energy: -59.414194
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -9.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -92.338874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.338874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.338874 (E_RNA)
where:
Base-Base interactions energy: -42.212
where: short stacking energy: -30.131
Base-Backbone interact. energy: -0.149
local terms energy: -49.977903
where:
bonds (distance) C4'-P energy: -6.280
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -3.339
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: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -83.293817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.293817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.293817 (E_RNA)
where:
Base-Base interactions energy: -30.860
where: short stacking energy: -30.860
Base-Backbone interact. energy: -0.044
local terms energy: -52.389460
where:
bonds (distance) C4'-P energy: -8.698
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -74.827715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.827715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.827715 (E_RNA)
where:
Base-Base interactions energy: -31.298
where: short stacking energy: -31.398
Base-Backbone interact. energy: -0.106
local terms energy: -43.423603
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -9.087
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: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -201.954569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.954569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.954569 (E_RNA)
where:
Base-Base interactions energy: -138.716
where: short stacking energy: -48.306
Base-Backbone interact. energy: -0.056
local terms energy: -63.183354
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -2.747
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -183.526429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.526429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.526429 (E_RNA)
where:
Base-Base interactions energy: -112.580
where: short stacking energy: -54.549
Base-Backbone interact. energy: -0.014
local terms energy: -70.932804
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -173.965274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.965274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.965274 (E_RNA)
where:
Base-Base interactions energy: -103.074
where: short stacking energy: -43.903
Base-Backbone interact. energy: -0.098
local terms energy: -70.793029
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -17.054
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: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -149.751309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.751309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.751309 (E_RNA)
where:
Base-Base interactions energy: -92.766
where: short stacking energy: -48.566
Base-Backbone interact. energy: -0.020
local terms energy: -56.965205
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: -11.272
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: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -173.740677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.740677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.740677 (E_RNA)
where:
Base-Base interactions energy: -114.688
where: short stacking energy: -53.958
Base-Backbone interact. energy: -0.008
local terms energy: -59.044965
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -9.241
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -13.156
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: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -107.890411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.890411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.890411 (E_RNA)
where:
Base-Base interactions energy: -52.210
where: short stacking energy: -47.297
Base-Backbone interact. energy: -0.527
local terms energy: -55.153345
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -5.670
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -97.286691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.286691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.286691 (E_RNA)
where:
Base-Base interactions energy: -51.013
where: short stacking energy: -25.786
Base-Backbone interact. energy: 0.770
local terms energy: -47.044094
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: 0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -87.003861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.003861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.003861 (E_RNA)
where:
Base-Base interactions energy: -33.438
where: short stacking energy: -20.866
Base-Backbone interact. energy: -0.151
local terms energy: -53.414167
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -9.548
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: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -77.827823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.827823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.827823 (E_RNA)
where:
Base-Base interactions energy: -28.651
where: short stacking energy: -28.289
Base-Backbone interact. energy: -0.030
local terms energy: -49.147409
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -6.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -77.433642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.433642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.433642 (E_RNA)
where:
Base-Base interactions energy: -23.188
where: short stacking energy: -23.188
Base-Backbone interact. energy: -0.008
local terms energy: -54.237530
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -12.013
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: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -212.726619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.726619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.726619 (E_RNA)
where:
Base-Base interactions energy: -138.370
where: short stacking energy: -64.524
Base-Backbone interact. energy: -0.682
local terms energy: -73.674198
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -21.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -198.154176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.154176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.154176 (E_RNA)
where:
Base-Base interactions energy: -126.241
where: short stacking energy: -57.173
Base-Backbone interact. energy: -0.581
local terms energy: -71.332430
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -16.680
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: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -174.560553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.560553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.560553 (E_RNA)
where:
Base-Base interactions energy: -109.340
where: short stacking energy: -55.606
Base-Backbone interact. energy: -0.297
local terms energy: -64.924168
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -19.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -180.422170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.422170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.422170 (E_RNA)
where:
Base-Base interactions energy: -114.396
where: short stacking energy: -50.128
Base-Backbone interact. energy: -0.524
local terms energy: -65.501438
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -148.880840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.880840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.880840 (E_RNA)
where:
Base-Base interactions energy: -88.282
where: short stacking energy: -37.817
Base-Backbone interact. energy: -0.066
local terms energy: -60.533245
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -6.988
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: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -104.578784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.578784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.578784 (E_RNA)
where:
Base-Base interactions energy: -55.568
where: short stacking energy: -33.891
Base-Backbone interact. energy: -0.256
local terms energy: -48.753963
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -9.905
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: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -87.817277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.817277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.817277 (E_RNA)
where:
Base-Base interactions energy: -34.846
where: short stacking energy: -33.645
Base-Backbone interact. energy: -0.031
local terms energy: -52.940138
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -6.973
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: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -82.724576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.724576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.724576 (E_RNA)
where:
Base-Base interactions energy: -31.799
where: short stacking energy: -29.926
Base-Backbone interact. energy: -0.023
local terms energy: -50.902726
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -89.705262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.705262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.705262 (E_RNA)
where:
Base-Base interactions energy: -38.918
where: short stacking energy: -22.965
Base-Backbone interact. energy: 0.633
local terms energy: -51.420807
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -9.307
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: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -80.859043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.859043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.859043 (E_RNA)
where:
Base-Base interactions energy: -34.554
where: short stacking energy: -31.477
Base-Backbone interact. energy: -0.062
local terms energy: -46.243387
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -9.180
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -207.570067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.570067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.570067 (E_RNA)
where:
Base-Base interactions energy: -140.331
where: short stacking energy: -63.756
Base-Backbone interact. energy: -0.001
local terms energy: -67.238312
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -213.661103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.661103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.661103 (E_RNA)
where:
Base-Base interactions energy: -136.919
where: short stacking energy: -57.967
Base-Backbone interact. energy: -0.258
local terms energy: -76.483983
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -186.945107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.945107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.945107 (E_RNA)
where:
Base-Base interactions energy: -123.930
where: short stacking energy: -56.849
Base-Backbone interact. energy: -0.004
local terms energy: -63.011042
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -13.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -163.385670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.385670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.385670 (E_RNA)
where:
Base-Base interactions energy: -101.446
where: short stacking energy: -40.835
Base-Backbone interact. energy: -0.096
local terms energy: -61.843707
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -13.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -156.354902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.354902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.354902 (E_RNA)
where:
Base-Base interactions energy: -101.364
where: short stacking energy: -44.432
Base-Backbone interact. energy: -0.018
local terms energy: -54.972985
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -10.420
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: 174
Temperature: 1.150000
Total energy: -93.015561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.015561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.015561 (E_RNA)
where:
Base-Base interactions energy: -36.232
where: short stacking energy: -36.232
Base-Backbone interact. energy: -0.047
local terms energy: -56.736492
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -9.104
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -94.831984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.831984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.831984 (E_RNA)
where:
Base-Base interactions energy: -40.319
where: short stacking energy: -27.682
Base-Backbone interact. energy: 0.658
local terms energy: -55.170287
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -93.543601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.543601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.543601 (E_RNA)
where:
Base-Base interactions energy: -40.891
where: short stacking energy: -30.548
Base-Backbone interact. energy: -0.148
local terms energy: -52.504455
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -79.514848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.514848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.514848 (E_RNA)
where:
Base-Base interactions energy: -19.881
where: short stacking energy: -19.881
Base-Backbone interact. energy: -0.011
local terms energy: -59.623398
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -79.387296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.387296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.387296 (E_RNA)
where:
Base-Base interactions energy: -32.623
where: short stacking energy: -24.305
Base-Backbone interact. energy: -0.155
local terms energy: -46.609873
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -2.365
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: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -207.853885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.853885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.853885 (E_RNA)
where:
Base-Base interactions energy: -134.531
where: short stacking energy: -66.762
Base-Backbone interact. energy: -0.000
local terms energy: -73.322811
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -17.850
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: 175
Temperature: 0.950000
Total energy: -208.389566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.389566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.389566 (E_RNA)
where:
Base-Base interactions energy: -138.501
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.046
local terms energy: -69.842469
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -180.455805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.455805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.455805 (E_RNA)
where:
Base-Base interactions energy: -107.143
where: short stacking energy: -49.815
Base-Backbone interact. energy: -0.100
local terms energy: -73.212937
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -18.107
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: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -166.759388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.759388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.759388 (E_RNA)
where:
Base-Base interactions energy: -111.593
where: short stacking energy: -49.535
Base-Backbone interact. energy: -0.131
local terms energy: -55.034827
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -1.090
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -158.635460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.635460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.635460 (E_RNA)
where:
Base-Base interactions energy: -102.339
where: short stacking energy: -40.665
Base-Backbone interact. energy: -0.014
local terms energy: -56.282768
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -12.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -103.419546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.419546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.419546 (E_RNA)
where:
Base-Base interactions energy: -39.329
where: short stacking energy: -39.329
Base-Backbone interact. energy: -0.046
local terms energy: -64.044837
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -8.431
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: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -91.103743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.103743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.103743 (E_RNA)
where:
Base-Base interactions energy: -34.096
where: short stacking energy: -34.096
Base-Backbone interact. energy: -0.008
local terms energy: -57.000029
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -11.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -74.577969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.577969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.577969 (E_RNA)
where:
Base-Base interactions energy: -30.022
where: short stacking energy: -14.086
Base-Backbone interact. energy: -1.433
local terms energy: -43.123158
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -8.132
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: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -78.357032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.357032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.357032 (E_RNA)
where:
Base-Base interactions energy: -24.325
where: short stacking energy: -24.325
Base-Backbone interact. energy: -0.153
local terms energy: -53.878764
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -9.782
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -72.584922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.584922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.584922 (E_RNA)
where:
Base-Base interactions energy: -28.388
where: short stacking energy: -22.978
Base-Backbone interact. energy: -0.119
local terms energy: -44.077553
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -2.070
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: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -203.804265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.804265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.804265 (E_RNA)
where:
Base-Base interactions energy: -132.273
where: short stacking energy: -57.511
Base-Backbone interact. energy: -0.015
local terms energy: -71.516661
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -207.803293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.803293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.803293 (E_RNA)
where:
Base-Base interactions energy: -134.359
where: short stacking energy: -61.417
Base-Backbone interact. energy: -0.002
local terms energy: -73.442949
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -20.449
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: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -159.783863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.783863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.783863 (E_RNA)
where:
Base-Base interactions energy: -92.067
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.032
local terms energy: -67.684852
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -172.766692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.766692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.766692 (E_RNA)
where:
Base-Base interactions energy: -108.595
where: short stacking energy: -51.459
Base-Backbone interact. energy: 2.196
local terms energy: -66.367462
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -163.179291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.179291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.179291 (E_RNA)
where:
Base-Base interactions energy: -98.544
where: short stacking energy: -49.023
Base-Backbone interact. energy: -0.001
local terms energy: -64.634059
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -93.712725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.712725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.712725 (E_RNA)
where:
Base-Base interactions energy: -39.075
where: short stacking energy: -39.075
Base-Backbone interact. energy: -0.001
local terms energy: -54.637492
where:
bonds (distance) C4'-P energy: -7.812
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -7.274
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: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -91.722629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.722629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.722629 (E_RNA)
where:
Base-Base interactions energy: -36.331
where: short stacking energy: -28.783
Base-Backbone interact. energy: -0.113
local terms energy: -55.279110
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -4.381
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: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -81.426166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.426166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.426166 (E_RNA)
where:
Base-Base interactions energy: -33.286
where: short stacking energy: -23.312
Base-Backbone interact. energy: 0.506
local terms energy: -48.646024
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -101.323683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.323683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.323683 (E_RNA)
where:
Base-Base interactions energy: -40.991
where: short stacking energy: -32.890
Base-Backbone interact. energy: -0.045
local terms energy: -60.287880
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -75.153774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.153774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.153774 (E_RNA)
where:
Base-Base interactions energy: -32.883
where: short stacking energy: -26.354
Base-Backbone interact. energy: -0.139
local terms energy: -42.132139
where:
bonds (distance) C4'-P energy: -7.049
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -2.079
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: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -197.782948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.782948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.782948 (E_RNA)
where:
Base-Base interactions energy: -120.116
where: short stacking energy: -56.225
Base-Backbone interact. energy: -1.037
local terms energy: -76.630172
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -214.977694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.977694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.977694 (E_RNA)
where:
Base-Base interactions energy: -143.124
where: short stacking energy: -61.428
Base-Backbone interact. energy: -0.001
local terms energy: -71.852756
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -18.717
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: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -153.690917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.690917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.690917 (E_RNA)
where:
Base-Base interactions energy: -90.624
where: short stacking energy: -46.612
Base-Backbone interact. energy: -0.166
local terms energy: -62.900295
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -11.404
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: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -149.013983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.013983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.013983 (E_RNA)
where:
Base-Base interactions energy: -94.950
where: short stacking energy: -48.273
Base-Backbone interact. energy: -0.138
local terms energy: -53.925353
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -8.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -157.770670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.770670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.770670 (E_RNA)
where:
Base-Base interactions energy: -99.011
where: short stacking energy: -39.524
Base-Backbone interact. energy: -1.210
local terms energy: -57.549900
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -90.034797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.034797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.034797 (E_RNA)
where:
Base-Base interactions energy: -34.975
where: short stacking energy: -34.975
Base-Backbone interact. energy: -0.015
local terms energy: -55.044764
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -10.395
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: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -85.600576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.600576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.600576 (E_RNA)
where:
Base-Base interactions energy: -36.756
where: short stacking energy: -25.886
Base-Backbone interact. energy: -0.086
local terms energy: -48.758227
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -75.733041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.733041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.733041 (E_RNA)
where:
Base-Base interactions energy: -26.027
where: short stacking energy: -26.027
Base-Backbone interact. energy: -0.261
local terms energy: -49.445106
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -6.563
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: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -82.416328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.416328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.416328 (E_RNA)
where:
Base-Base interactions energy: -26.954
where: short stacking energy: -22.867
Base-Backbone interact. energy: 0.782
local terms energy: -56.244636
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -8.304
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: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -81.493116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.493116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.493116 (E_RNA)
where:
Base-Base interactions energy: -30.457
where: short stacking energy: -30.457
Base-Backbone interact. energy: -0.299
local terms energy: -50.737193
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -9.353
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: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -215.310687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.310687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.310687 (E_RNA)
where:
Base-Base interactions energy: -139.801
where: short stacking energy: -63.287
Base-Backbone interact. energy: 0.651
local terms energy: -76.161050
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -17.339
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: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -198.723541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.723541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.723541 (E_RNA)
where:
Base-Base interactions energy: -131.501
where: short stacking energy: -57.856
Base-Backbone interact. energy: -0.002
local terms energy: -67.220187
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -178.839121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.839121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.839121 (E_RNA)
where:
Base-Base interactions energy: -107.081
where: short stacking energy: -48.756
Base-Backbone interact. energy: -0.837
local terms energy: -70.921377
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -174.236402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.236402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.236402 (E_RNA)
where:
Base-Base interactions energy: -105.253
where: short stacking energy: -46.099
Base-Backbone interact. energy: -0.919
local terms energy: -68.064090
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -16.773
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: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -170.713625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.713625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.713625 (E_RNA)
where:
Base-Base interactions energy: -105.634
where: short stacking energy: -51.925
Base-Backbone interact. energy: 1.294
local terms energy: -66.374247
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -94.791052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.791052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.791052 (E_RNA)
where:
Base-Base interactions energy: -33.990
where: short stacking energy: -32.563
Base-Backbone interact. energy: -0.086
local terms energy: -60.714722
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -91.649583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.649583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.649583 (E_RNA)
where:
Base-Base interactions energy: -41.663
where: short stacking energy: -36.945
Base-Backbone interact. energy: -0.110
local terms energy: -49.875857
where:
bonds (distance) C4'-P energy: -5.270
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -94.725185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.725185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.725185 (E_RNA)
where:
Base-Base interactions energy: -46.816
where: short stacking energy: -34.870
Base-Backbone interact. energy: -0.214
local terms energy: -47.695246
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -6.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -77.269859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.269859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.269859 (E_RNA)
where:
Base-Base interactions energy: -30.066
where: short stacking energy: -27.741
Base-Backbone interact. energy: -0.131
local terms energy: -47.072515
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -65.588186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.588186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.588186 (E_RNA)
where:
Base-Base interactions energy: -25.319
where: short stacking energy: -20.723
Base-Backbone interact. energy: -0.310
local terms energy: -39.959489
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: 1.422
tors. eta vs tors. theta energy: 2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -212.373013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.373013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.373013 (E_RNA)
where:
Base-Base interactions energy: -138.484
where: short stacking energy: -62.504
Base-Backbone interact. energy: -0.096
local terms energy: -73.793309
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -18.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -203.359167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.359167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.359167 (E_RNA)
where:
Base-Base interactions energy: -139.517
where: short stacking energy: -64.974
Base-Backbone interact. energy: -0.003
local terms energy: -63.839491
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -178.154215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.154215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.154215 (E_RNA)
where:
Base-Base interactions energy: -112.993
where: short stacking energy: -51.356
Base-Backbone interact. energy: -0.066
local terms energy: -65.094657
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -11.175
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -17.404
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: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -165.111185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.111185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.111185 (E_RNA)
where:
Base-Base interactions energy: -100.212
where: short stacking energy: -51.507
Base-Backbone interact. energy: -0.010
local terms energy: -64.889795
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -12.475
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: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -163.475340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.475340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.475340 (E_RNA)
where:
Base-Base interactions energy: -101.826
where: short stacking energy: -47.573
Base-Backbone interact. energy: 1.224
local terms energy: -62.873060
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -91.385717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.385717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.385717 (E_RNA)
where:
Base-Base interactions energy: -41.485
where: short stacking energy: -33.686
Base-Backbone interact. energy: -0.600
local terms energy: -49.300626
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -12.723
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: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -84.053960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.053960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.053960 (E_RNA)
where:
Base-Base interactions energy: -31.085
where: short stacking energy: -30.621
Base-Backbone interact. energy: -0.053
local terms energy: -52.915880
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -5.236
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: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -77.242925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.242925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.242925 (E_RNA)
where:
Base-Base interactions energy: -23.420
where: short stacking energy: -23.420
Base-Backbone interact. energy: -0.066
local terms energy: -53.756815
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -82.184772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.184772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.184772 (E_RNA)
where:
Base-Base interactions energy: -35.348
where: short stacking energy: -33.958
Base-Backbone interact. energy: -0.083
local terms energy: -46.753199
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -7.156
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: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -77.155242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.155242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.155242 (E_RNA)
where:
Base-Base interactions energy: -34.634
where: short stacking energy: -20.729
Base-Backbone interact. energy: -0.935
local terms energy: -41.586596
where:
bonds (distance) C4'-P energy: -8.250
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -209.333206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.333206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.333206 (E_RNA)
where:
Base-Base interactions energy: -137.984
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.008
local terms energy: -71.342112
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -206.842544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.842544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.842544 (E_RNA)
where:
Base-Base interactions energy: -135.041
where: short stacking energy: -59.965
Base-Backbone interact. energy: -0.490
local terms energy: -71.311312
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -19.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -178.440372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.440372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.440372 (E_RNA)
where:
Base-Base interactions energy: -114.580
where: short stacking energy: -53.417
Base-Backbone interact. energy: -0.027
local terms energy: -63.833504
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -163.774442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.774442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.774442 (E_RNA)
where:
Base-Base interactions energy: -100.402
where: short stacking energy: -44.534
Base-Backbone interact. energy: -0.007
local terms energy: -63.365545
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -162.085026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.085026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.085026 (E_RNA)
where:
Base-Base interactions energy: -98.854
where: short stacking energy: -48.025
Base-Backbone interact. energy: -0.095
local terms energy: -63.135383
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -8.244
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: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -101.492133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.492133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.492133 (E_RNA)
where:
Base-Base interactions energy: -43.267
where: short stacking energy: -22.321
Base-Backbone interact. energy: -0.225
local terms energy: -57.999678
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -6.918
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: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -87.599457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.599457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.599457 (E_RNA)
where:
Base-Base interactions energy: -32.398
where: short stacking energy: -29.045
Base-Backbone interact. energy: -0.211
local terms energy: -54.990142
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -11.551
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: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -105.331097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.331097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.331097 (E_RNA)
where:
Base-Base interactions energy: -54.474
where: short stacking energy: -33.752
Base-Backbone interact. energy: -0.143
local terms energy: -50.714163
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -7.847
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -83.106153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.106153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.106153 (E_RNA)
where:
Base-Base interactions energy: -42.779
where: short stacking energy: -29.027
Base-Backbone interact. energy: -0.369
local terms energy: -39.958492
where:
bonds (distance) C4'-P energy: -6.739
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -68.823731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.823731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.823731 (E_RNA)
where:
Base-Base interactions energy: -25.400
where: short stacking energy: -21.726
Base-Backbone interact. energy: -0.149
local terms energy: -43.274119
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -198.525700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.525700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.525700 (E_RNA)
where:
Base-Base interactions energy: -127.553
where: short stacking energy: -53.681
Base-Backbone interact. energy: -0.006
local terms energy: -70.967482
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -209.394119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.394119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.394119 (E_RNA)
where:
Base-Base interactions energy: -138.079
where: short stacking energy: -61.427
Base-Backbone interact. energy: -0.091
local terms energy: -71.223302
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -173.567015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.567015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.567015 (E_RNA)
where:
Base-Base interactions energy: -113.619
where: short stacking energy: -43.054
Base-Backbone interact. energy: -0.888
local terms energy: -59.059626
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -6.406
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: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -162.641980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.641980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.641980 (E_RNA)
where:
Base-Base interactions energy: -98.898
where: short stacking energy: -49.706
Base-Backbone interact. energy: -0.038
local terms energy: -63.706059
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -157.836944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.836944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.836944 (E_RNA)
where:
Base-Base interactions energy: -105.807
where: short stacking energy: -42.681
Base-Backbone interact. energy: 0.267
local terms energy: -52.296777
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -9.809
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: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -89.074839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.074839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.074839 (E_RNA)
where:
Base-Base interactions energy: -41.818
where: short stacking energy: -34.147
Base-Backbone interact. energy: -0.688
local terms energy: -46.568822
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -9.610
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: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -89.248834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.248834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.248834 (E_RNA)
where:
Base-Base interactions energy: -38.748
where: short stacking energy: -29.738
Base-Backbone interact. energy: -0.364
local terms energy: -50.136869
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -5.161
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: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -145.625994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.625994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.625994 (E_RNA)
where:
Base-Base interactions energy: -95.962
where: short stacking energy: -42.904
Base-Backbone interact. energy: -1.002
local terms energy: -48.662722
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -74.995936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.995936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.995936 (E_RNA)
where:
Base-Base interactions energy: -27.520
where: short stacking energy: -11.001
Base-Backbone interact. energy: 0.832
local terms energy: -48.308272
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -9.950
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: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -73.241059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.241059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.241059 (E_RNA)
where:
Base-Base interactions energy: -35.745
where: short stacking energy: -8.407
Base-Backbone interact. energy: -0.005
local terms energy: -37.491035
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: 8.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -206.007476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.007476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.007476 (E_RNA)
where:
Base-Base interactions energy: -132.268
where: short stacking energy: -59.920
Base-Backbone interact. energy: -0.013
local terms energy: -73.726173
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -213.806498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.806498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.806498 (E_RNA)
where:
Base-Base interactions energy: -143.337
where: short stacking energy: -68.725
Base-Backbone interact. energy: -0.001
local terms energy: -70.468995
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -20.216
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: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -188.274231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.274231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.274231 (E_RNA)
where:
Base-Base interactions energy: -124.961
where: short stacking energy: -53.881
Base-Backbone interact. energy: -0.780
local terms energy: -62.533441
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -149.452691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.452691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.452691 (E_RNA)
where:
Base-Base interactions energy: -92.546
where: short stacking energy: -36.295
Base-Backbone interact. energy: -0.620
local terms energy: -56.286281
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -6.596
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: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -173.417730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.417730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.417730 (E_RNA)
where:
Base-Base interactions energy: -113.839
where: short stacking energy: -42.256
Base-Backbone interact. energy: -0.219
local terms energy: -59.360148
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -8.346
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: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -91.136098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.136098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.136098 (E_RNA)
where:
Base-Base interactions energy: -45.837
where: short stacking energy: -28.228
Base-Backbone interact. energy: -0.241
local terms energy: -45.057918
where:
bonds (distance) C4'-P energy: -4.434
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -136.551101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.551101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.551101 (E_RNA)
where:
Base-Base interactions energy: -74.846
where: short stacking energy: -35.395
Base-Backbone interact. energy: -0.118
local terms energy: -61.587434
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -7.885
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: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -114.147872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.147872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.147872 (E_RNA)
where:
Base-Base interactions energy: -54.898
where: short stacking energy: -28.915
Base-Backbone interact. energy: -1.431
local terms energy: -57.818671
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -10.180
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: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -72.930085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.930085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.930085 (E_RNA)
where:
Base-Base interactions energy: -25.288
where: short stacking energy: -22.007
Base-Backbone interact. energy: -0.190
local terms energy: -47.452485
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -7.728
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: -4.495
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: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -71.735792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.735792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.735792 (E_RNA)
where:
Base-Base interactions energy: -36.525
where: short stacking energy: -15.432
Base-Backbone interact. energy: -0.364
local terms energy: -34.846839
where:
bonds (distance) C4'-P energy: -9.476
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: 3.283
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: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -216.526702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.526702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.526702 (E_RNA)
where:
Base-Base interactions energy: -142.930
where: short stacking energy: -64.649
Base-Backbone interact. energy: -0.004
local terms energy: -73.593222
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -204.561940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.561940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.561940 (E_RNA)
where:
Base-Base interactions energy: -133.832
where: short stacking energy: -55.390
Base-Backbone interact. energy: -0.291
local terms energy: -70.439034
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -191.742947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.742947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.742947 (E_RNA)
where:
Base-Base interactions energy: -126.469
where: short stacking energy: -54.064
Base-Backbone interact. energy: -0.164
local terms energy: -65.109898
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -20.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -163.765271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.765271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.765271 (E_RNA)
where:
Base-Base interactions energy: -94.449
where: short stacking energy: -38.978
Base-Backbone interact. energy: -0.210
local terms energy: -69.105556
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -11.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -158.084805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.084805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.084805 (E_RNA)
where:
Base-Base interactions energy: -100.253
where: short stacking energy: -45.550
Base-Backbone interact. energy: -0.686
local terms energy: -57.146325
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -144.418264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.418264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.418264 (E_RNA)
where:
Base-Base interactions energy: -93.735
where: short stacking energy: -41.417
Base-Backbone interact. energy: -0.070
local terms energy: -50.612703
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -10.080
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: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -101.281213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.281213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.281213 (E_RNA)
where:
Base-Base interactions energy: -43.196
where: short stacking energy: -43.196
Base-Backbone interact. energy: -0.121
local terms energy: -57.964333
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -94.796282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.796282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.796282 (E_RNA)
where:
Base-Base interactions energy: -54.539
where: short stacking energy: -29.475
Base-Backbone interact. energy: -0.240
local terms energy: -40.017616
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -90.774213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.774213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.774213 (E_RNA)
where:
Base-Base interactions energy: -47.719
where: short stacking energy: -29.168
Base-Backbone interact. energy: -0.231
local terms energy: -42.823460
where:
bonds (distance) C4'-P energy: -5.546
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -75.126762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.126762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.126762 (E_RNA)
where:
Base-Base interactions energy: -25.450
where: short stacking energy: -19.746
Base-Backbone interact. energy: -0.196
local terms energy: -49.480588
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: 1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -206.475478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.475478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.475478 (E_RNA)
where:
Base-Base interactions energy: -132.853
where: short stacking energy: -61.429
Base-Backbone interact. energy: -0.062
local terms energy: -73.560548
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -211.543795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.543795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.543795 (E_RNA)
where:
Base-Base interactions energy: -141.314
where: short stacking energy: -62.790
Base-Backbone interact. energy: -0.002
local terms energy: -70.227685
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -196.418660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.418660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.418660 (E_RNA)
where:
Base-Base interactions energy: -132.492
where: short stacking energy: -58.740
Base-Backbone interact. energy: -0.161
local terms energy: -63.765781
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -4.248
tors. eta vs tors. theta energy: -18.435
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: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -158.681062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.681062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.681062 (E_RNA)
where:
Base-Base interactions energy: -100.274
where: short stacking energy: -46.121
Base-Backbone interact. energy: -0.256
local terms energy: -58.150419
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -9.991
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: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -149.681062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.681062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.681062 (E_RNA)
where:
Base-Base interactions energy: -88.896
where: short stacking energy: -36.986
Base-Backbone interact. energy: -0.213
local terms energy: -60.571801
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -7.353
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: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -145.186165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.186165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.186165 (E_RNA)
where:
Base-Base interactions energy: -79.586
where: short stacking energy: -47.607
Base-Backbone interact. energy: -1.022
local terms energy: -64.577973
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -94.310457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.310457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.310457 (E_RNA)
where:
Base-Base interactions energy: -41.732
where: short stacking energy: -25.474
Base-Backbone interact. energy: -0.148
local terms energy: -52.431206
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -9.066
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: 8, replica: 2
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -88.778276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.778276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.778276 (E_RNA)
where:
Base-Base interactions energy: -32.785
where: short stacking energy: -32.785
Base-Backbone interact. energy: -0.003
local terms energy: -55.990303
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -9.873
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: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -82.189615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.189615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.189615 (E_RNA)
where:
Base-Base interactions energy: -24.308
where: short stacking energy: -23.473
Base-Backbone interact. energy: -0.112
local terms energy: -57.769899
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -9.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -78.514426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.514426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.514426 (E_RNA)
where:
Base-Base interactions energy: -32.566
where: short stacking energy: -25.245
Base-Backbone interact. energy: -0.077
local terms energy: -45.871534
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -4.870
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: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -203.292873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.292873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.292873 (E_RNA)
where:
Base-Base interactions energy: -141.888
where: short stacking energy: -56.244
Base-Backbone interact. energy: -0.242
local terms energy: -61.162644
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -9.041
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -195.430773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.430773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.430773 (E_RNA)
where:
Base-Base interactions energy: -129.154
where: short stacking energy: -54.365
Base-Backbone interact. energy: -0.003
local terms energy: -66.273103
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -18.236
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: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -179.356400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.356400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.356400 (E_RNA)
where:
Base-Base interactions energy: -113.599
where: short stacking energy: -52.354
Base-Backbone interact. energy: -0.007
local terms energy: -65.749949
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -156.521808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.521808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.521808 (E_RNA)
where:
Base-Base interactions energy: -93.266
where: short stacking energy: -41.741
Base-Backbone interact. energy: -0.169
local terms energy: -63.086900
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -11.086
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: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -164.271017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.271017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.271017 (E_RNA)
where:
Base-Base interactions energy: -106.289
where: short stacking energy: -49.051
Base-Backbone interact. energy: -0.038
local terms energy: -57.944022
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -167.693971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.693971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.693971 (E_RNA)
where:
Base-Base interactions energy: -100.429
where: short stacking energy: -43.693
Base-Backbone interact. energy: -0.899
local terms energy: -66.366572
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -86.766347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.766347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.766347 (E_RNA)
where:
Base-Base interactions energy: -35.380
where: short stacking energy: -32.429
Base-Backbone interact. energy: -0.260
local terms energy: -51.126118
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -6.639
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: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -82.682393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.682393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.682393 (E_RNA)
where:
Base-Base interactions energy: -38.555
where: short stacking energy: -29.226
Base-Backbone interact. energy: 1.751
local terms energy: -45.878517
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -76.361830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.361830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.361830 (E_RNA)
where:
Base-Base interactions energy: -26.275
where: short stacking energy: -26.275
Base-Backbone interact. energy: 0.082
local terms energy: -50.168636
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -9.877
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: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -69.307754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.307754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.307754 (E_RNA)
where:
Base-Base interactions energy: -31.663
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.509
local terms energy: -37.136705
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -11.551
flat angles C4'-P-C4' energy: -8.417
flat angles P-C4'-P energy: -7.367
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: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -207.946258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.946258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.946258 (E_RNA)
where:
Base-Base interactions energy: -136.700
where: short stacking energy: -65.457
Base-Backbone interact. energy: -0.002
local terms energy: -71.244609
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -203.776635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.776635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.776635 (E_RNA)
where:
Base-Base interactions energy: -131.570
where: short stacking energy: -57.992
Base-Backbone interact. energy: -0.191
local terms energy: -72.015199
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -180.076194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.076194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.076194 (E_RNA)
where:
Base-Base interactions energy: -119.223
where: short stacking energy: -49.806
Base-Backbone interact. energy: -0.341
local terms energy: -60.512287
where:
bonds (distance) C4'-P energy: -7.963
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -12.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -165.702217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.702217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.702217 (E_RNA)
where:
Base-Base interactions energy: -103.877
where: short stacking energy: -50.347
Base-Backbone interact. energy: 1.330
local terms energy: -63.155578
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -10.151
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: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -170.913781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.913781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.913781 (E_RNA)
where:
Base-Base interactions energy: -110.732
where: short stacking energy: -50.807
Base-Backbone interact. energy: -0.518
local terms energy: -59.664115
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -150.640272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.640272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.640272 (E_RNA)
where:
Base-Base interactions energy: -90.904
where: short stacking energy: -42.213
Base-Backbone interact. energy: -0.176
local terms energy: -59.560101
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -11.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -84.499832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.499832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.499832 (E_RNA)
where:
Base-Base interactions energy: -30.803
where: short stacking energy: -30.803
Base-Backbone interact. energy: -0.016
local terms energy: -53.680573
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -80.004974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.004974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.004974 (E_RNA)
where:
Base-Base interactions energy: -36.451
where: short stacking energy: -17.463
Base-Backbone interact. energy: -0.044
local terms energy: -43.509786
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -9.858
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: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -72.872889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.872889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.872889 (E_RNA)
where:
Base-Base interactions energy: -27.181
where: short stacking energy: -27.181
Base-Backbone interact. energy: -0.174
local terms energy: -45.518241
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -3.585
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: 186
Temperature: 1.350000
Total energy: -80.340573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.340573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.340573 (E_RNA)
where:
Base-Base interactions energy: -36.331
where: short stacking energy: -22.698
Base-Backbone interact. energy: -0.081
local terms energy: -43.929374
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -4.720
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: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -200.988753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.988753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.988753 (E_RNA)
where:
Base-Base interactions energy: -126.536
where: short stacking energy: -52.269
Base-Backbone interact. energy: -0.220
local terms energy: -74.231966
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -200.797407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.797407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.797407 (E_RNA)
where:
Base-Base interactions energy: -125.369
where: short stacking energy: -59.221
Base-Backbone interact. energy: -0.600
local terms energy: -74.828895
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -178.033510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.033510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.033510 (E_RNA)
where:
Base-Base interactions energy: -111.404
where: short stacking energy: -49.093
Base-Backbone interact. energy: -0.001
local terms energy: -66.628105
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -169.920291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.920291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.920291 (E_RNA)
where:
Base-Base interactions energy: -113.848
where: short stacking energy: -53.945
Base-Backbone interact. energy: -0.591
local terms energy: -55.481338
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -12.756
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: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -158.849722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.849722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.849722 (E_RNA)
where:
Base-Base interactions energy: -91.426
where: short stacking energy: -42.782
Base-Backbone interact. energy: -0.034
local terms energy: -67.389174
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -138.986519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.986519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.986519 (E_RNA)
where:
Base-Base interactions energy: -79.700
where: short stacking energy: -29.912
Base-Backbone interact. energy: 0.003
local terms energy: -59.289449
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -10.296
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: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -87.971591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.971591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.971591 (E_RNA)
where:
Base-Base interactions energy: -37.296
where: short stacking energy: -37.296
Base-Backbone interact. energy: -0.295
local terms energy: -50.380428
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -10.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -83.068993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.068993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.068993 (E_RNA)
where:
Base-Base interactions energy: -28.582
where: short stacking energy: -28.582
Base-Backbone interact. energy: -0.251
local terms energy: -54.235902
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -8.178
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: 9, replica: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -74.463388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.463388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.463388 (E_RNA)
where:
Base-Base interactions energy: -30.844
where: short stacking energy: -31.044
Base-Backbone interact. energy: 0.771
local terms energy: -44.391100
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -1.598
tors. eta vs tors. theta energy: -4.292
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: 10, replica: 2
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -71.236969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.236969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.236969 (E_RNA)
where:
Base-Base interactions energy: -20.994
where: short stacking energy: -20.994
Base-Backbone interact. energy: -0.120
local terms energy: -50.122831
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -207.116704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.116704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.116704 (E_RNA)
where:
Base-Base interactions energy: -139.386
where: short stacking energy: -64.800
Base-Backbone interact. energy: -0.253
local terms energy: -67.477464
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -202.919836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.919836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.919836 (E_RNA)
where:
Base-Base interactions energy: -134.580
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.004
local terms energy: -68.335041
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -18.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -175.547730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.547730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.547730 (E_RNA)
where:
Base-Base interactions energy: -113.878
where: short stacking energy: -52.910
Base-Backbone interact. energy: -0.010
local terms energy: -61.659633
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -161.747817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.747817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.747817 (E_RNA)
where:
Base-Base interactions energy: -103.279
where: short stacking energy: -49.236
Base-Backbone interact. energy: -0.016
local terms energy: -58.452795
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -11.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -147.408136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.408136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.408136 (E_RNA)
where:
Base-Base interactions energy: -92.414
where: short stacking energy: -37.289
Base-Backbone interact. energy: -0.004
local terms energy: -54.990109
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -5.613
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: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -149.575460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.575460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.575460 (E_RNA)
where:
Base-Base interactions energy: -97.929
where: short stacking energy: -42.784
Base-Backbone interact. energy: -0.517
local terms energy: -51.129396
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -91.661224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.661224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.661224 (E_RNA)
where:
Base-Base interactions energy: -43.158
where: short stacking energy: -31.047
Base-Backbone interact. energy: 0.277
local terms energy: -48.780788
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -78.839793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.839793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.839793 (E_RNA)
where:
Base-Base interactions energy: -23.791
where: short stacking energy: -23.478
Base-Backbone interact. energy: -0.235
local terms energy: -54.813804
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -100.730113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.730113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.730113 (E_RNA)
where:
Base-Base interactions energy: -56.428
where: short stacking energy: -31.376
Base-Backbone interact. energy: -0.127
local terms energy: -44.174483
where:
bonds (distance) C4'-P energy: -7.170
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -77.927329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.927329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.927329 (E_RNA)
where:
Base-Base interactions energy: -26.668
where: short stacking energy: -24.896
Base-Backbone interact. energy: 0.585
local terms energy: -51.844753
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -197.868818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.868818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.868818 (E_RNA)
where:
Base-Base interactions energy: -132.085
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.344
local terms energy: -65.440550
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -10.705
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -207.729509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.729509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.729509 (E_RNA)
where:
Base-Base interactions energy: -147.344
where: short stacking energy: -64.240
Base-Backbone interact. energy: -0.049
local terms energy: -60.337089
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -4.779
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -175.890634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.890634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.890634 (E_RNA)
where:
Base-Base interactions energy: -108.431
where: short stacking energy: -54.645
Base-Backbone interact. energy: 0.101
local terms energy: -67.559835
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -15.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -158.555065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.555065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.555065 (E_RNA)
where:
Base-Base interactions energy: -97.161
where: short stacking energy: -36.274
Base-Backbone interact. energy: -0.313
local terms energy: -61.081547
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -7.123
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: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -158.808666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.808666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.808666 (E_RNA)
where:
Base-Base interactions energy: -88.323
where: short stacking energy: -40.094
Base-Backbone interact. energy: -0.084
local terms energy: -70.401549
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -12.085
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: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -155.013081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.013081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.013081 (E_RNA)
where:
Base-Base interactions energy: -95.855
where: short stacking energy: -46.277
Base-Backbone interact. energy: -0.040
local terms energy: -59.118620
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -15.964
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: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -88.789320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.789320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.789320 (E_RNA)
where:
Base-Base interactions energy: -38.484
where: short stacking energy: -25.265
Base-Backbone interact. energy: -0.061
local terms energy: -50.244334
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -6.428
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: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -105.080217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.080217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.080217 (E_RNA)
where:
Base-Base interactions energy: -54.286
where: short stacking energy: -32.995
Base-Backbone interact. energy: -0.306
local terms energy: -50.487879
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -8.650
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -71.767990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.767990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.767990 (E_RNA)
where:
Base-Base interactions energy: -26.067
where: short stacking energy: -26.067
Base-Backbone interact. energy: -0.104
local terms energy: -45.597684
where:
bonds (distance) C4'-P energy: -8.701
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -8.596
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: 10, replica: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -73.647449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.647449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.647449 (E_RNA)
where:
Base-Base interactions energy: -23.356
where: short stacking energy: -21.609
Base-Backbone interact. energy: -0.787
local terms energy: -49.504047
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -9.197
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: 1, replica: 10
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -207.920444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.920444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.920444 (E_RNA)
where:
Base-Base interactions energy: -143.376
where: short stacking energy: -59.888
Base-Backbone interact. energy: -0.102
local terms energy: -64.443209
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -199.755280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.755280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.755280 (E_RNA)
where:
Base-Base interactions energy: -131.114
where: short stacking energy: -63.224
Base-Backbone interact. energy: -0.012
local terms energy: -68.629680
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -152.827028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.827028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.827028 (E_RNA)
where:
Base-Base interactions energy: -96.973
where: short stacking energy: -41.221
Base-Backbone interact. energy: 1.299
local terms energy: -57.153315
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -6.767
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: 190
Temperature: 1.050000
Total energy: -170.629927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.629927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.629927 (E_RNA)
where:
Base-Base interactions energy: -111.814
where: short stacking energy: -41.044
Base-Backbone interact. energy: -0.172
local terms energy: -58.644223
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -8.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -174.847214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.847214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.847214 (E_RNA)
where:
Base-Base interactions energy: -115.542
where: short stacking energy: -55.159
Base-Backbone interact. energy: -0.088
local terms energy: -59.217149
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -0.104
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -162.094133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.094133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.094133 (E_RNA)
where:
Base-Base interactions energy: -97.292
where: short stacking energy: -42.759
Base-Backbone interact. energy: 0.109
local terms energy: -64.910766
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -82.751902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.751902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.751902 (E_RNA)
where:
Base-Base interactions energy: -30.355
where: short stacking energy: -19.865
Base-Backbone interact. energy: 0.118
local terms energy: -52.515474
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -86.233495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.233495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.233495 (E_RNA)
where:
Base-Base interactions energy: -35.007
where: short stacking energy: -30.987
Base-Backbone interact. energy: -0.054
local terms energy: -51.171680
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -80.815851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.815851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.815851 (E_RNA)
where:
Base-Base interactions energy: -25.973
where: short stacking energy: -25.973
Base-Backbone interact. energy: -0.210
local terms energy: -54.633074
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -10.738
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: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -74.094591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.094591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.094591 (E_RNA)
where:
Base-Base interactions energy: -27.830
where: short stacking energy: -27.803
Base-Backbone interact. energy: -0.071
local terms energy: -46.194139
where:
bonds (distance) C4'-P energy: -6.665
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -7.787
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: 1, replica: 10
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -206.866155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.866155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.866155 (E_RNA)
where:
Base-Base interactions energy: -135.886
where: short stacking energy: -59.436
Base-Backbone interact. energy: -0.001
local terms energy: -70.979155
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -200.352456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.352456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.352456 (E_RNA)
where:
Base-Base interactions energy: -129.969
where: short stacking energy: -64.225
Base-Backbone interact. energy: -0.010
local terms energy: -70.373893
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -19.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -169.239279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.239279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.239279 (E_RNA)
where:
Base-Base interactions energy: -102.988
where: short stacking energy: -35.916
Base-Backbone interact. energy: -0.141
local terms energy: -66.110360
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -9.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -170.807561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.807561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.807561 (E_RNA)
where:
Base-Base interactions energy: -125.320
where: short stacking energy: -44.327
Base-Backbone interact. energy: -0.181
local terms energy: -45.306550
where:
bonds (distance) C4'-P energy: -8.987
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -3.844
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: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -164.270675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.270675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.270675 (E_RNA)
where:
Base-Base interactions energy: -99.547
where: short stacking energy: -41.852
Base-Backbone interact. energy: -0.043
local terms energy: -64.680916
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -9.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -155.299383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.299383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.299383 (E_RNA)
where:
Base-Base interactions energy: -105.124
where: short stacking energy: -39.025
Base-Backbone interact. energy: -0.480
local terms energy: -49.695900
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -8.357
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -7.535
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: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -91.486573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.486573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.486573 (E_RNA)
where:
Base-Base interactions energy: -46.073
where: short stacking energy: -33.968
Base-Backbone interact. energy: -0.688
local terms energy: -44.724776
where:
bonds (distance) C4'-P energy: -6.697
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -81.732149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.732149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.732149 (E_RNA)
where:
Base-Base interactions energy: -31.060
where: short stacking energy: -21.221
Base-Backbone interact. energy: -0.070
local terms energy: -50.601829
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -7.260
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: 9, replica: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -80.216679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.216679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.216679 (E_RNA)
where:
Base-Base interactions energy: -27.317
where: short stacking energy: -27.317
Base-Backbone interact. energy: -0.988
local terms energy: -51.911560
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -7.797
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -4.980
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: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -83.673889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.673889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.673889 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -20.084
Base-Backbone interact. energy: -0.196
local terms energy: -53.527777
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -204.409938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.409938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.409938 (E_RNA)
where:
Base-Base interactions energy: -132.413
where: short stacking energy: -59.202
Base-Backbone interact. energy: -0.025
local terms energy: -71.971954
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -19.712
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: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -196.043519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.043519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.043519 (E_RNA)
where:
Base-Base interactions energy: -135.032
where: short stacking energy: -59.201
Base-Backbone interact. energy: -0.012
local terms energy: -60.999721
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -4.300
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -176.982598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.982598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.982598 (E_RNA)
where:
Base-Base interactions energy: -108.669
where: short stacking energy: -46.940
Base-Backbone interact. energy: -0.108
local terms energy: -68.205821
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -156.240428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.240428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.240428 (E_RNA)
where:
Base-Base interactions energy: -94.693
where: short stacking energy: -33.530
Base-Backbone interact. energy: -1.958
local terms energy: -59.589411
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -160.999040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.999040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.999040 (E_RNA)
where:
Base-Base interactions energy: -101.507
where: short stacking energy: -47.161
Base-Backbone interact. energy: -0.491
local terms energy: -59.001206
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -8.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -156.682407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.682407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.682407 (E_RNA)
where:
Base-Base interactions energy: -98.143
where: short stacking energy: -40.119
Base-Backbone interact. energy: -0.819
local terms energy: -57.720428
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -77.804436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.804436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.804436 (E_RNA)
where:
Base-Base interactions energy: -29.275
where: short stacking energy: -19.273
Base-Backbone interact. energy: 2.144
local terms energy: -50.672992
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -7.155
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: 8, replica: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -81.349277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.349277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.349277 (E_RNA)
where:
Base-Base interactions energy: -34.417
where: short stacking energy: -25.485
Base-Backbone interact. energy: -0.053
local terms energy: -46.879259
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -6.951
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: 9, replica: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -98.420661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.420661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.420661 (E_RNA)
where:
Base-Base interactions energy: -51.099
where: short stacking energy: -38.981
Base-Backbone interact. energy: -0.029
local terms energy: -47.292653
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -8.556
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -1.495
tors. eta vs tors. theta energy: -9.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -73.979110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.979110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.979110 (E_RNA)
where:
Base-Base interactions energy: -28.799
where: short stacking energy: -28.799
Base-Backbone interact. energy: -0.022
local terms energy: -45.158163
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -3.141
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: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -213.902928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.902928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.902928 (E_RNA)
where:
Base-Base interactions energy: -146.291
where: short stacking energy: -63.995
Base-Backbone interact. energy: -0.582
local terms energy: -67.029783
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -209.882263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.882263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.882263 (E_RNA)
where:
Base-Base interactions energy: -136.437
where: short stacking energy: -64.191
Base-Backbone interact. energy: -0.005
local terms energy: -73.440281
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -171.192736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.192736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.192736 (E_RNA)
where:
Base-Base interactions energy: -106.798
where: short stacking energy: -50.618
Base-Backbone interact. energy: -0.157
local terms energy: -64.238304
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -157.773683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.773683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.773683 (E_RNA)
where:
Base-Base interactions energy: -100.943
where: short stacking energy: -43.886
Base-Backbone interact. energy: -0.036
local terms energy: -56.794718
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -10.332
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: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -158.038590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.038590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.038590 (E_RNA)
where:
Base-Base interactions energy: -92.782
where: short stacking energy: -35.649
Base-Backbone interact. energy: -0.726
local terms energy: -64.531073
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -164.625565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.625565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.625565 (E_RNA)
where:
Base-Base interactions energy: -107.529
where: short stacking energy: -49.975
Base-Backbone interact. energy: -0.162
local terms energy: -56.934113
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -11.921
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: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -95.466996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.466996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.466996 (E_RNA)
where:
Base-Base interactions energy: -36.499
where: short stacking energy: -35.383
Base-Backbone interact. energy: -0.056
local terms energy: -58.912009
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -6.987
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: 8, replica: 2
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -93.702630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.702630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.702630 (E_RNA)
where:
Base-Base interactions energy: -50.696
where: short stacking energy: -34.270
Base-Backbone interact. energy: 2.473
local terms energy: -45.479229
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: 2.595
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: 9, replica: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -67.118197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.118197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.118197 (E_RNA)
where:
Base-Base interactions energy: -32.340
where: short stacking energy: -25.882
Base-Backbone interact. energy: 0.363
local terms energy: -35.141390
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: 2.739
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: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -87.788971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.788971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.788971 (E_RNA)
where:
Base-Base interactions energy: -34.093
where: short stacking energy: -34.093
Base-Backbone interact. energy: -0.144
local terms energy: -53.551161
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -207.527598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.527598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.527598 (E_RNA)
where:
Base-Base interactions energy: -136.288
where: short stacking energy: -58.914
Base-Backbone interact. energy: -0.101
local terms energy: -71.138513
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -20.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -206.780031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.780031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.780031 (E_RNA)
where:
Base-Base interactions energy: -139.391
where: short stacking energy: -61.171
Base-Backbone interact. energy: -0.283
local terms energy: -67.106678
where:
bonds (distance) C4'-P energy: -9.496
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -21.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -178.116018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.116018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.116018 (E_RNA)
where:
Base-Base interactions energy: -110.199
where: short stacking energy: -42.797
Base-Backbone interact. energy: 0.852
local terms energy: -68.769028
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -162.036898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.036898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.036898 (E_RNA)
where:
Base-Base interactions energy: -97.070
where: short stacking energy: -50.126
Base-Backbone interact. energy: -0.004
local terms energy: -64.962512
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -14.854
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: 194
Temperature: 1.100000
Total energy: -177.833974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.833974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.833974 (E_RNA)
where:
Base-Base interactions energy: -118.664
where: short stacking energy: -48.638
Base-Backbone interact. energy: -1.345
local terms energy: -57.824131
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -9.635
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -169.301102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.301102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.301102 (E_RNA)
where:
Base-Base interactions energy: -110.257
where: short stacking energy: -53.001
Base-Backbone interact. energy: 0.319
local terms energy: -59.363595
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -91.223284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.223284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.223284 (E_RNA)
where:
Base-Base interactions energy: -37.825
where: short stacking energy: -35.862
Base-Backbone interact. energy: -0.200
local terms energy: -53.198187
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -84.183928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.183928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.183928 (E_RNA)
where:
Base-Base interactions energy: -38.856
where: short stacking energy: -38.856
Base-Backbone interact. energy: -0.064
local terms energy: -45.263757
where:
bonds (distance) C4'-P energy: -7.806
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -2.611
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -88.139407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.139407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.139407 (E_RNA)
where:
Base-Base interactions energy: -30.400
where: short stacking energy: -30.089
Base-Backbone interact. energy: -0.013
local terms energy: -57.726478
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -10.479
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: 10, replica: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -70.167936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.167936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.167936 (E_RNA)
where:
Base-Base interactions energy: -21.333
where: short stacking energy: -21.333
Base-Backbone interact. energy: -0.085
local terms energy: -48.750006
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -3.094
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: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -202.329117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.329117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.329117 (E_RNA)
where:
Base-Base interactions energy: -129.395
where: short stacking energy: -59.734
Base-Backbone interact. energy: -0.143
local terms energy: -72.791454
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -18.586
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: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -198.820838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.820838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.820838 (E_RNA)
where:
Base-Base interactions energy: -126.414
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.034
local terms energy: -72.372934
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -162.261944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.261944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.261944 (E_RNA)
where:
Base-Base interactions energy: -100.278
where: short stacking energy: -44.401
Base-Backbone interact. energy: -0.509
local terms energy: -61.474402
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -7.847
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: 9
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -175.614632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.614632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.614632 (E_RNA)
where:
Base-Base interactions energy: -109.191
where: short stacking energy: -52.125
Base-Backbone interact. energy: -0.192
local terms energy: -66.231084
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -172.751705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.751705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.751705 (E_RNA)
where:
Base-Base interactions energy: -101.550
where: short stacking energy: -48.386
Base-Backbone interact. energy: -0.413
local terms energy: -70.788719
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -159.192557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.192557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.192557 (E_RNA)
where:
Base-Base interactions energy: -100.756
where: short stacking energy: -49.628
Base-Backbone interact. energy: -0.049
local terms energy: -58.387957
where:
bonds (distance) C4'-P energy: -7.633
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -12.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -92.347680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.347680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.347680 (E_RNA)
where:
Base-Base interactions energy: -43.981
where: short stacking energy: -35.630
Base-Backbone interact. energy: -0.137
local terms energy: -48.229346
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -9.539
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -6.633
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: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -91.110743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.110743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.110743 (E_RNA)
where:
Base-Base interactions energy: -35.615
where: short stacking energy: -35.615
Base-Backbone interact. energy: -0.109
local terms energy: -55.387639
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -117.748911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.748911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.748911 (E_RNA)
where:
Base-Base interactions energy: -61.383
where: short stacking energy: -31.198
Base-Backbone interact. energy: -0.053
local terms energy: -56.313448
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -67.556414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.556414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.556414 (E_RNA)
where:
Base-Base interactions energy: -14.853
where: short stacking energy: -14.853
Base-Backbone interact. energy: -0.005
local terms energy: -52.699171
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -11.054
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: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -191.789197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.789197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.789197 (E_RNA)
where:
Base-Base interactions energy: -126.323
where: short stacking energy: -61.185
Base-Backbone interact. energy: -0.094
local terms energy: -65.372060
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -200.792955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.792955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.792955 (E_RNA)
where:
Base-Base interactions energy: -125.685
where: short stacking energy: -58.866
Base-Backbone interact. energy: -0.021
local terms energy: -75.087011
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -22.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -177.501544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.501544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.501544 (E_RNA)
where:
Base-Base interactions energy: -110.861
where: short stacking energy: -53.581
Base-Backbone interact. energy: -0.096
local terms energy: -66.545028
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -153.656643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.656643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.656643 (E_RNA)
where:
Base-Base interactions energy: -90.619
where: short stacking energy: -46.661
Base-Backbone interact. energy: -0.212
local terms energy: -62.826073
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -170.840229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.840229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.840229 (E_RNA)
where:
Base-Base interactions energy: -110.171
where: short stacking energy: -49.016
Base-Backbone interact. energy: -0.004
local terms energy: -60.664697
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -142.174748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.174748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.174748 (E_RNA)
where:
Base-Base interactions energy: -84.438
where: short stacking energy: -34.737
Base-Backbone interact. energy: -0.195
local terms energy: -57.541756
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -6.517
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: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -93.383624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.383624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.383624 (E_RNA)
where:
Base-Base interactions energy: -41.063
where: short stacking energy: -33.648
Base-Backbone interact. energy: -0.189
local terms energy: -52.131700
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -5.379
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: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -94.090236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.090236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.090236 (E_RNA)
where:
Base-Base interactions energy: -47.212
where: short stacking energy: -32.061
Base-Backbone interact. energy: 0.773
local terms energy: -47.650923
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -2.695
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: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -70.654216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.654216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.654216 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -15.640
Base-Backbone interact. energy: 0.221
local terms energy: -38.087447
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: 2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -108.048064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.048064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.048064 (E_RNA)
where:
Base-Base interactions energy: -68.220
where: short stacking energy: -24.884
Base-Backbone interact. energy: 1.538
local terms energy: -41.366212
where:
bonds (distance) C4'-P energy: -5.989
bonds (distance) P-C4' energy: -9.577
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -6.060
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: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -215.388993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.388993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.388993 (E_RNA)
where:
Base-Base interactions energy: -140.024
where: short stacking energy: -67.824
Base-Backbone interact. energy: -0.119
local terms energy: -75.246698
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -182.637846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.637846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.637846 (E_RNA)
where:
Base-Base interactions energy: -121.545
where: short stacking energy: -52.653
Base-Backbone interact. energy: -0.041
local terms energy: -61.051434
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -13.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -206.290737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.290737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.290737 (E_RNA)
where:
Base-Base interactions energy: -132.353
where: short stacking energy: -59.211
Base-Backbone interact. energy: -0.001
local terms energy: -73.936751
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -20.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -156.481563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.481563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.481563 (E_RNA)
where:
Base-Base interactions energy: -94.854
where: short stacking energy: -41.233
Base-Backbone interact. energy: -0.279
local terms energy: -61.348629
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -152.189463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.189463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.189463 (E_RNA)
where:
Base-Base interactions energy: -90.389
where: short stacking energy: -44.674
Base-Backbone interact. energy: -0.369
local terms energy: -61.431288
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -146.865145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.865145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.865145 (E_RNA)
where:
Base-Base interactions energy: -96.899
where: short stacking energy: -42.460
Base-Backbone interact. energy: -0.088
local terms energy: -49.878697
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -3.091
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -90.134244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.134244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.134244 (E_RNA)
where:
Base-Base interactions energy: -39.545
where: short stacking energy: -26.982
Base-Backbone interact. energy: -0.266
local terms energy: -50.323407
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -83.680212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.680212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.680212 (E_RNA)
where:
Base-Base interactions energy: -41.017
where: short stacking energy: -33.705
Base-Backbone interact. energy: -0.157
local terms energy: -42.506207
where:
bonds (distance) C4'-P energy: -7.412
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -88.599042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.599042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.599042 (E_RNA)
where:
Base-Base interactions energy: -37.418
where: short stacking energy: -34.702
Base-Backbone interact. energy: -0.261
local terms energy: -50.920027
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -11.222
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: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -70.416915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.416915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.416915 (E_RNA)
where:
Base-Base interactions energy: -29.234
where: short stacking energy: -27.244
Base-Backbone interact. energy: -0.161
local terms energy: -41.022167
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -3.701
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: 1, replica: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -185.616647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.616647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.616647 (E_RNA)
where:
Base-Base interactions energy: -118.199
where: short stacking energy: -45.216
Base-Backbone interact. energy: -0.302
local terms energy: -67.115242
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -15.080
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: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -209.653550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.653550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.653550 (E_RNA)
where:
Base-Base interactions energy: -139.956
where: short stacking energy: -59.913
Base-Backbone interact. energy: 0.336
local terms energy: -70.033831
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -204.049117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.049117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.049117 (E_RNA)
where:
Base-Base interactions energy: -129.877
where: short stacking energy: -50.951
Base-Backbone interact. energy: -0.346
local terms energy: -73.825700
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -151.843825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.843825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.843825 (E_RNA)
where:
Base-Base interactions energy: -91.789
where: short stacking energy: -36.675
Base-Backbone interact. energy: 0.068
local terms energy: -60.123505
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -154.571661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.571661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.571661 (E_RNA)
where:
Base-Base interactions energy: -92.655
where: short stacking energy: -45.180
Base-Backbone interact. energy: -0.206
local terms energy: -61.709926
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -11.467
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: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -143.567969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.567969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.567969 (E_RNA)
where:
Base-Base interactions energy: -96.996
where: short stacking energy: -35.308
Base-Backbone interact. energy: -0.027
local terms energy: -46.544604
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -88.745060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.745060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.745060 (E_RNA)
where:
Base-Base interactions energy: -43.236
where: short stacking energy: -31.457
Base-Backbone interact. energy: 2.941
local terms energy: -48.450098
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -3.681
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: 198
Temperature: 1.250000
Total energy: -79.959168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.959168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.959168 (E_RNA)
where:
Base-Base interactions energy: -29.183
where: short stacking energy: -26.103
Base-Backbone interact. energy: -0.504
local terms energy: -50.272537
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -87.892152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.892152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.892152 (E_RNA)
where:
Base-Base interactions energy: -45.490
where: short stacking energy: -22.697
Base-Backbone interact. energy: 2.214
local terms energy: -44.615971
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -8.728
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: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -72.709694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.709694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.709694 (E_RNA)
where:
Base-Base interactions energy: -21.654
where: short stacking energy: -19.594
Base-Backbone interact. energy: -0.663
local terms energy: -50.393211
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: 1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -206.550583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.550583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.550583 (E_RNA)
where:
Base-Base interactions energy: -139.876
where: short stacking energy: -52.699
Base-Backbone interact. energy: 1.027
local terms energy: -67.701523
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -14.404
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: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -197.747549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.747549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.747549 (E_RNA)
where:
Base-Base interactions energy: -129.092
where: short stacking energy: -62.577
Base-Backbone interact. energy: -0.024
local terms energy: -68.631136
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -18.545
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: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -180.859033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.859033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.859033 (E_RNA)
where:
Base-Base interactions energy: -119.961
where: short stacking energy: -58.945
Base-Backbone interact. energy: -0.275
local terms energy: -60.622644
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -155.967937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.967937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.967937 (E_RNA)
where:
Base-Base interactions energy: -93.865
where: short stacking energy: -50.443
Base-Backbone interact. energy: -0.108
local terms energy: -61.995295
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -144.587360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.587360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.587360 (E_RNA)
where:
Base-Base interactions energy: -85.782
where: short stacking energy: -56.754
Base-Backbone interact. energy: -0.045
local terms energy: -58.759734
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: -17.214
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: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -150.128461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.128461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.128461 (E_RNA)
where:
Base-Base interactions energy: -87.295
where: short stacking energy: -36.469
Base-Backbone interact. energy: -0.790
local terms energy: -62.043791
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -11.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -77.928603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.928603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.928603 (E_RNA)
where:
Base-Base interactions energy: -26.010
where: short stacking energy: -22.310
Base-Backbone interact. energy: 0.149
local terms energy: -52.068218
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -4.745
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: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -82.171433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.171433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.171433 (E_RNA)
where:
Base-Base interactions energy: -43.001
where: short stacking energy: -26.415
Base-Backbone interact. energy: -0.222
local terms energy: -38.947861
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -1.999
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: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -74.471434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.471434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.471434 (E_RNA)
where:
Base-Base interactions energy: -32.189
where: short stacking energy: -32.189
Base-Backbone interact. energy: -0.104
local terms energy: -42.178142
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -5.866
flat angles P-C4'-P energy: -8.514
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: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -66.357955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.357955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.357955 (E_RNA)
where:
Base-Base interactions energy: -22.313
where: short stacking energy: -17.083
Base-Backbone interact. energy: -0.032
local terms energy: -44.013461
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -4.035
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: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -209.621818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.621818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.621818 (E_RNA)
where:
Base-Base interactions energy: -139.619
where: short stacking energy: -61.489
Base-Backbone interact. energy: -0.001
local terms energy: -70.002042
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -207.097203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.097203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.097203 (E_RNA)
where:
Base-Base interactions energy: -135.840
where: short stacking energy: -62.564
Base-Backbone interact. energy: 0.810
local terms energy: -72.067290
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -13.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -196.747195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.747195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.747195 (E_RNA)
where:
Base-Base interactions energy: -127.299
where: short stacking energy: -59.437
Base-Backbone interact. energy: 0.224
local terms energy: -69.672631
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -126.624730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.624730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.624730 (E_RNA)
where:
Base-Base interactions energy: -70.707
where: short stacking energy: -35.768
Base-Backbone interact. energy: 0.237
local terms energy: -56.154306
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -10.445
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: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -149.653739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.653739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.653739 (E_RNA)
where:
Base-Base interactions energy: -83.349
where: short stacking energy: -36.722
Base-Backbone interact. energy: -1.066
local terms energy: -65.239073
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -11.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -115.832611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.832611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.832611 (E_RNA)
where:
Base-Base interactions energy: -60.133
where: short stacking energy: -27.183
Base-Backbone interact. energy: -1.240
local terms energy: -54.459546
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -10.913
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: 7, replica: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -87.333567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.333567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.333567 (E_RNA)
where:
Base-Base interactions energy: -31.849
where: short stacking energy: -24.295
Base-Backbone interact. energy: -0.333
local terms energy: -55.151526
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -7.538
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: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -81.830525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.830525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.830525 (E_RNA)
where:
Base-Base interactions energy: -32.831
where: short stacking energy: -32.831
Base-Backbone interact. energy: -0.910
local terms energy: -48.089665
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -76.507523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.507523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.507523 (E_RNA)
where:
Base-Base interactions energy: -26.503
where: short stacking energy: -26.414
Base-Backbone interact. energy: -1.087
local terms energy: -48.917149
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -2.426
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: 10, replica: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -80.022330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.022330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.022330 (E_RNA)
where:
Base-Base interactions energy: -30.913
where: short stacking energy: -21.643
Base-Backbone interact. energy: -1.073
local terms energy: -48.036278
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -4.229
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: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -207.319624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.319624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.319624 (E_RNA)
where:
Base-Base interactions energy: -136.029
where: short stacking energy: -60.184
Base-Backbone interact. energy: -0.098
local terms energy: -71.192765
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -213.405586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.405586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.405586 (E_RNA)
where:
Base-Base interactions energy: -138.420
where: short stacking energy: -60.380
Base-Backbone interact. energy: -0.160
local terms energy: -74.825494
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -201.074255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.074255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.074255 (E_RNA)
where:
Base-Base interactions energy: -132.886
where: short stacking energy: -56.664
Base-Backbone interact. energy: -0.109
local terms energy: -68.079298
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -163.388899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.388899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.388899 (E_RNA)
where:
Base-Base interactions energy: -102.753
where: short stacking energy: -45.100
Base-Backbone interact. energy: 1.012
local terms energy: -61.647530
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -160.024617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.024617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.024617 (E_RNA)
where:
Base-Base interactions energy: -105.145
where: short stacking energy: -43.694
Base-Backbone interact. energy: -0.589
local terms energy: -54.290688
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -96.861215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.861215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.861215 (E_RNA)
where:
Base-Base interactions energy: -45.617
where: short stacking energy: -31.497
Base-Backbone interact. energy: -0.189
local terms energy: -51.055131
where:
bonds (distance) C4'-P energy: -7.740
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -10.408
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: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -87.021851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.021851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.021851 (E_RNA)
where:
Base-Base interactions energy: -31.333
where: short stacking energy: -30.324
Base-Backbone interact. energy: -0.012
local terms energy: -55.677447
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -11.183
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: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -84.359823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.359823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.359823 (E_RNA)
where:
Base-Base interactions energy: -47.984
where: short stacking energy: -29.834
Base-Backbone interact. energy: 0.076
local terms energy: -36.452637
where:
bonds (distance) C4'-P energy: -7.612
bonds (distance) P-C4' energy: -9.230
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -71.550627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.550627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.550627 (E_RNA)
where:
Base-Base interactions energy: -25.554
where: short stacking energy: -14.446
Base-Backbone interact. energy: -0.431
local terms energy: -45.566067
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: 0.963
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: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -68.640337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.640337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.640337 (E_RNA)
where:
Base-Base interactions energy: -26.223
where: short stacking energy: -19.428
Base-Backbone interact. energy: -0.039
local terms energy: -42.378305
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -0.915
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -215.185996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.185996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.185996 (E_RNA)
where:
Base-Base interactions energy: -140.460
where: short stacking energy: -64.103
Base-Backbone interact. energy: -0.080
local terms energy: -74.645978
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -21.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -200.194904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.194904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.194904 (E_RNA)
where:
Base-Base interactions energy: -130.152
where: short stacking energy: -61.002
Base-Backbone interact. energy: -0.021
local terms energy: -70.021864
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -166.622373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.622373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.622373 (E_RNA)
where:
Base-Base interactions energy: -107.475
where: short stacking energy: -49.298
Base-Backbone interact. energy: 0.783
local terms energy: -59.930377
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -193.539328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.539328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.539328 (E_RNA)
where:
Base-Base interactions energy: -126.004
where: short stacking energy: -51.740
Base-Backbone interact. energy: 1.465
local terms energy: -69.000369
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -152.738230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.738230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.738230 (E_RNA)
where:
Base-Base interactions energy: -99.605
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.058
local terms energy: -53.075728
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -91.004233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.004233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.004233 (E_RNA)
where:
Base-Base interactions energy: -35.618
where: short stacking energy: -34.943
Base-Backbone interact. energy: -1.158
local terms energy: -54.227997
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -85.687559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.687559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.687559 (E_RNA)
where:
Base-Base interactions energy: -30.400
where: short stacking energy: -29.594
Base-Backbone interact. energy: -0.260
local terms energy: -55.026809
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -10.004
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: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -78.846994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.846994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.846994 (E_RNA)
where:
Base-Base interactions energy: -29.936
where: short stacking energy: -18.744
Base-Backbone interact. energy: -0.127
local terms energy: -48.783788
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -11.972
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: 9, replica: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -78.469186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.469186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.469186 (E_RNA)
where:
Base-Base interactions energy: -40.816
where: short stacking energy: -29.279
Base-Backbone interact. energy: -0.100
local terms energy: -37.553222
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -8.216
flat angles P-C4'-P energy: -5.107
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: 10, replica: 2
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -71.500401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.500401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.500401 (E_RNA)
where:
Base-Base interactions energy: -30.037
where: short stacking energy: -29.005
Base-Backbone interact. energy: -0.146
local terms energy: -41.317611
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -7.754
flat angles P-C4'-P energy: -7.582
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: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -211.021893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.021893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.021893 (E_RNA)
where:
Base-Base interactions energy: -137.729
where: short stacking energy: -59.417
Base-Backbone interact. energy: -0.002
local terms energy: -73.290836
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -19.074
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: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -199.986871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.986871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.986871 (E_RNA)
where:
Base-Base interactions energy: -126.383
where: short stacking energy: -52.024
Base-Backbone interact. energy: -0.065
local terms energy: -73.538899
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -163.344554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.344554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.344554 (E_RNA)
where:
Base-Base interactions energy: -103.540
where: short stacking energy: -47.313
Base-Backbone interact. energy: -0.004
local terms energy: -59.800466
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -10.586
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: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -165.742239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.742239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.742239 (E_RNA)
where:
Base-Base interactions energy: -97.890
where: short stacking energy: -47.949
Base-Backbone interact. energy: -0.011
local terms energy: -67.841963
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -150.134177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.134177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.134177 (E_RNA)
where:
Base-Base interactions energy: -89.303
where: short stacking energy: -39.231
Base-Backbone interact. energy: -0.163
local terms energy: -60.667790
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -108.520661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.520661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.520661 (E_RNA)
where:
Base-Base interactions energy: -58.078
where: short stacking energy: -34.156
Base-Backbone interact. energy: 0.393
local terms energy: -50.835926
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -7.180
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: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -81.278606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.278606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.278606 (E_RNA)
where:
Base-Base interactions energy: -30.469
where: short stacking energy: -29.758
Base-Backbone interact. energy: -0.071
local terms energy: -50.737952
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -83.706009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.706009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.706009 (E_RNA)
where:
Base-Base interactions energy: -34.829
where: short stacking energy: -32.042
Base-Backbone interact. energy: -0.170
local terms energy: -48.707110
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -1.699
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: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -82.916197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.916197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.916197 (E_RNA)
where:
Base-Base interactions energy: -31.987
where: short stacking energy: -14.154
Base-Backbone interact. energy: -0.316
local terms energy: -50.612507
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -75.542220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.542220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.542220 (E_RNA)
where:
Base-Base interactions energy: -25.766
where: short stacking energy: -20.257
Base-Backbone interact. energy: -0.356
local terms energy: -49.420166
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -7.136
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: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -209.062186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.062186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.062186 (E_RNA)
where:
Base-Base interactions energy: -142.958
where: short stacking energy: -61.533
Base-Backbone interact. energy: -0.093
local terms energy: -66.011905
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -20.665
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: 204
Temperature: 0.950000
Total energy: -192.215931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.215931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.215931 (E_RNA)
where:
Base-Base interactions energy: -123.214
where: short stacking energy: -52.861
Base-Backbone interact. energy: -0.795
local terms energy: -68.206447
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -165.701663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.701663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.701663 (E_RNA)
where:
Base-Base interactions energy: -108.845
where: short stacking energy: -48.524
Base-Backbone interact. energy: -0.245
local terms energy: -56.611820
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -10.538
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -12.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -167.525611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.525611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.525611 (E_RNA)
where:
Base-Base interactions energy: -98.569
where: short stacking energy: -48.708
Base-Backbone interact. energy: -0.475
local terms energy: -68.481578
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -161.305492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.305492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.305492 (E_RNA)
where:
Base-Base interactions energy: -98.515
where: short stacking energy: -47.994
Base-Backbone interact. energy: -0.002
local terms energy: -62.788752
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -91.678584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.678584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.678584 (E_RNA)
where:
Base-Base interactions energy: -36.259
where: short stacking energy: -32.875
Base-Backbone interact. energy: -0.177
local terms energy: -55.242387
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -9.032
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: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -93.760241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.760241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.760241 (E_RNA)
where:
Base-Base interactions energy: -45.349
where: short stacking energy: -45.349
Base-Backbone interact. energy: -0.015
local terms energy: -48.396391
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -85.629929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.629929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.629929 (E_RNA)
where:
Base-Base interactions energy: -34.316
where: short stacking energy: -25.391
Base-Backbone interact. energy: -0.161
local terms energy: -51.152079
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -4.480
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: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -77.482564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.482564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.482564 (E_RNA)
where:
Base-Base interactions energy: -23.169
where: short stacking energy: -23.169
Base-Backbone interact. energy: -0.139
local terms energy: -54.174026
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -10.955
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: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -65.000192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.000192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.000192 (E_RNA)
where:
Base-Base interactions energy: -25.929
where: short stacking energy: -21.805
Base-Backbone interact. energy: 1.384
local terms energy: -40.455733
where:
bonds (distance) C4'-P energy: -6.840
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -210.333673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.333673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.333673 (E_RNA)
where:
Base-Base interactions energy: -135.001
where: short stacking energy: -62.780
Base-Backbone interact. energy: -0.871
local terms energy: -74.461188
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -20.918
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: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -202.526672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.526672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.526672 (E_RNA)
where:
Base-Base interactions energy: -137.731
where: short stacking energy: -63.903
Base-Backbone interact. energy: -0.088
local terms energy: -64.707574
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -160.520443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.520443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.520443 (E_RNA)
where:
Base-Base interactions energy: -101.386
where: short stacking energy: -46.295
Base-Backbone interact. energy: -0.279
local terms energy: -58.855154
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -9.542
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: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -170.954829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.954829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.954829 (E_RNA)
where:
Base-Base interactions energy: -111.771
where: short stacking energy: -42.671
Base-Backbone interact. energy: -0.708
local terms energy: -58.475451
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -10.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -160.931845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.931845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.931845 (E_RNA)
where:
Base-Base interactions energy: -103.846
where: short stacking energy: -51.216
Base-Backbone interact. energy: -0.166
local terms energy: -56.919222
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -7.999
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -10.254
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: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -107.549964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.549964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.549964 (E_RNA)
where:
Base-Base interactions energy: -58.497
where: short stacking energy: -37.347
Base-Backbone interact. energy: -0.544
local terms energy: -48.508995
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -8.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -88.515679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.515679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.515679 (E_RNA)
where:
Base-Base interactions energy: -38.600
where: short stacking energy: -23.333
Base-Backbone interact. energy: -0.019
local terms energy: -49.896849
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -5.978
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: 8, replica: 2
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -103.845950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.845950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.845950 (E_RNA)
where:
Base-Base interactions energy: -53.501
where: short stacking energy: -28.031
Base-Backbone interact. energy: -0.161
local terms energy: -50.183977
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -5.885
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: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -84.322656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.322656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.322656 (E_RNA)
where:
Base-Base interactions energy: -33.536
where: short stacking energy: -33.536
Base-Backbone interact. energy: -0.075
local terms energy: -50.711284
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -4.727
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: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -74.989648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.989648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.989648 (E_RNA)
where:
Base-Base interactions energy: -29.854
where: short stacking energy: -29.815
Base-Backbone interact. energy: -0.097
local terms energy: -45.039451
where:
bonds (distance) C4'-P energy: -7.715
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -7.280
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -8.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -202.496268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.496268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.496268 (E_RNA)
where:
Base-Base interactions energy: -132.615
where: short stacking energy: -56.368
Base-Backbone interact. energy: -0.149
local terms energy: -69.731979
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -204.911367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.911367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.911367 (E_RNA)
where:
Base-Base interactions energy: -136.483
where: short stacking energy: -59.827
Base-Backbone interact. energy: -0.001
local terms energy: -68.427561
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -18.228
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: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -167.610728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.610728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.610728 (E_RNA)
where:
Base-Base interactions energy: -107.581
where: short stacking energy: -39.329
Base-Backbone interact. energy: -0.109
local terms energy: -59.921363
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -159.084828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.084828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.084828 (E_RNA)
where:
Base-Base interactions energy: -100.074
where: short stacking energy: -44.070
Base-Backbone interact. energy: -0.883
local terms energy: -58.128574
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -11.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -158.000094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.000094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.000094 (E_RNA)
where:
Base-Base interactions energy: -98.231
where: short stacking energy: -44.202
Base-Backbone interact. energy: -0.167
local terms energy: -59.602136
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -8.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -93.635486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.635486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.635486 (E_RNA)
where:
Base-Base interactions energy: -45.899
where: short stacking energy: -42.339
Base-Backbone interact. energy: -0.161
local terms energy: -47.575750
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -7.192
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: 7, replica: 2
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -88.539784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.539784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.539784 (E_RNA)
where:
Base-Base interactions energy: -38.226
where: short stacking energy: -38.226
Base-Backbone interact. energy: -0.151
local terms energy: -50.162478
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -3.435
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: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -80.626932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.626932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.626932 (E_RNA)
where:
Base-Base interactions energy: -36.415
where: short stacking energy: -22.442
Base-Backbone interact. energy: -0.235
local terms energy: -43.977192
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -3.690
tors. eta vs tors. theta energy: 3.166
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: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -86.081063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.081063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.081063 (E_RNA)
where:
Base-Base interactions energy: -40.778
where: short stacking energy: -25.971
Base-Backbone interact. energy: -0.217
local terms energy: -45.086750
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -7.058
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: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -74.044747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.044747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.044747 (E_RNA)
where:
Base-Base interactions energy: -33.043
where: short stacking energy: -33.043
Base-Backbone interact. energy: 3.795
local terms energy: -44.797000
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -5.772
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: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -193.192489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.192489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.192489 (E_RNA)
where:
Base-Base interactions energy: -123.178
where: short stacking energy: -51.702
Base-Backbone interact. energy: -0.136
local terms energy: -69.878990
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -15.495
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: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -187.878579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.878579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.878579 (E_RNA)
where:
Base-Base interactions energy: -121.796
where: short stacking energy: -46.173
Base-Backbone interact. energy: -0.541
local terms energy: -65.541737
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -198.445896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.445896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.445896 (E_RNA)
where:
Base-Base interactions energy: -125.528
where: short stacking energy: -53.802
Base-Backbone interact. energy: -0.473
local terms energy: -72.444028
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -162.208932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.208932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.208932 (E_RNA)
where:
Base-Base interactions energy: -106.357
where: short stacking energy: -49.169
Base-Backbone interact. energy: -0.261
local terms energy: -55.590707
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -153.616950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.616950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.616950 (E_RNA)
where:
Base-Base interactions energy: -94.823
where: short stacking energy: -43.469
Base-Backbone interact. energy: -0.231
local terms energy: -58.563101
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -8.814
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -82.033848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.033848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.033848 (E_RNA)
where:
Base-Base interactions energy: -29.771
where: short stacking energy: -27.595
Base-Backbone interact. energy: -0.092
local terms energy: -52.171478
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -84.831401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.831401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.831401 (E_RNA)
where:
Base-Base interactions energy: -35.062
where: short stacking energy: -16.475
Base-Backbone interact. energy: -0.405
local terms energy: -49.363980
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -8.120
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: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -87.004865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.004865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.004865 (E_RNA)
where:
Base-Base interactions energy: -34.873
where: short stacking energy: -32.889
Base-Backbone interact. energy: -0.834
local terms energy: -51.298545
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -2.474
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -72.641640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.641640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.641640 (E_RNA)
where:
Base-Base interactions energy: -28.255
where: short stacking energy: -19.539
Base-Backbone interact. energy: -0.285
local terms energy: -44.102155
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -8.397
flat angles P-C4'-P energy: -10.750
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: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -75.824778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.824778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.824778 (E_RNA)
where:
Base-Base interactions energy: -34.225
where: short stacking energy: -14.383
Base-Backbone interact. energy: 0.671
local terms energy: -42.271684
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -198.980176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.980176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.980176 (E_RNA)
where:
Base-Base interactions energy: -130.522
where: short stacking energy: -51.828
Base-Backbone interact. energy: -0.320
local terms energy: -68.138751
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -171.956482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.956482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.956482 (E_RNA)
where:
Base-Base interactions energy: -117.147
where: short stacking energy: -36.653
Base-Backbone interact. energy: -0.385
local terms energy: -54.424771
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -183.885849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.885849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.885849 (E_RNA)
where:
Base-Base interactions energy: -118.164
where: short stacking energy: -55.079
Base-Backbone interact. energy: -0.145
local terms energy: -65.576812
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -163.310784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.310784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.310784 (E_RNA)
where:
Base-Base interactions energy: -103.667
where: short stacking energy: -48.618
Base-Backbone interact. energy: -0.001
local terms energy: -59.642579
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -10.019
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -13.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -145.269084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.269084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.269084 (E_RNA)
where:
Base-Base interactions energy: -87.807
where: short stacking energy: -47.138
Base-Backbone interact. energy: -0.427
local terms energy: -57.035045
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -5.061
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: 2
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -85.695923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.695923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.695923 (E_RNA)
where:
Base-Base interactions energy: -29.685
where: short stacking energy: -28.000
Base-Backbone interact. energy: -0.177
local terms energy: -55.833867
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -6.714
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: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -93.453581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.453581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.453581 (E_RNA)
where:
Base-Base interactions energy: -54.520
where: short stacking energy: -29.439
Base-Backbone interact. energy: 0.486
local terms energy: -39.419686
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: -1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -84.583744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.583744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.583744 (E_RNA)
where:
Base-Base interactions energy: -30.475
where: short stacking energy: -27.075
Base-Backbone interact. energy: -0.101
local terms energy: -54.007022
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -112.579974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.579974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.579974 (E_RNA)
where:
Base-Base interactions energy: -59.930
where: short stacking energy: -23.979
Base-Backbone interact. energy: -0.076
local terms energy: -52.574525
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -8.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -74.319267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.319267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.319267 (E_RNA)
where:
Base-Base interactions energy: -35.144
where: short stacking energy: -22.928
Base-Backbone interact. energy: -0.785
local terms energy: -38.390686
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -9.197
flat angles P-C4'-P energy: -8.491
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: 209
Temperature: 0.900000
Total energy: -205.223394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.223394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.223394 (E_RNA)
where:
Base-Base interactions energy: -131.516
where: short stacking energy: -57.878
Base-Backbone interact. energy: 0.353
local terms energy: -74.060987
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -193.099792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.099792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.099792 (E_RNA)
where:
Base-Base interactions energy: -124.035
where: short stacking energy: -51.061
Base-Backbone interact. energy: -0.002
local terms energy: -69.062563
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -14.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -167.565897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.565897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.565897 (E_RNA)
where:
Base-Base interactions energy: -106.263
where: short stacking energy: -41.246
Base-Backbone interact. energy: 0.101
local terms energy: -61.404488
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -8.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -159.368824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.368824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.368824 (E_RNA)
where:
Base-Base interactions energy: -97.531
where: short stacking energy: -38.351
Base-Backbone interact. energy: -0.756
local terms energy: -61.082235
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -155.211539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.211539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.211539 (E_RNA)
where:
Base-Base interactions energy: -96.616
where: short stacking energy: -41.929
Base-Backbone interact. energy: -0.196
local terms energy: -58.399457
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -109.725830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.725830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.725830 (E_RNA)
where:
Base-Base interactions energy: -54.719
where: short stacking energy: -35.549
Base-Backbone interact. energy: -0.190
local terms energy: -54.816266
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -5.167
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: 2
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -101.851563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.851563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.851563 (E_RNA)
where:
Base-Base interactions energy: -54.803
where: short stacking energy: -24.113
Base-Backbone interact. energy: -0.454
local terms energy: -46.594921
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -7.664
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: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -90.797881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.797881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.797881 (E_RNA)
where:
Base-Base interactions energy: -34.959
where: short stacking energy: -31.687
Base-Backbone interact. energy: -0.226
local terms energy: -55.612733
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -9.701
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: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -74.761647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.761647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.761647 (E_RNA)
where:
Base-Base interactions energy: -32.707
where: short stacking energy: -24.152
Base-Backbone interact. energy: 0.545
local terms energy: -42.598982
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -5.937
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -2.232
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: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -73.599167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.599167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.599167 (E_RNA)
where:
Base-Base interactions energy: -24.909
where: short stacking energy: -19.661
Base-Backbone interact. energy: -0.138
local terms energy: -48.552012
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -6.802
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: 1, replica: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -202.124982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.124982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.124982 (E_RNA)
where:
Base-Base interactions energy: -136.700
where: short stacking energy: -53.060
Base-Backbone interact. energy: -0.114
local terms energy: -65.311061
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -203.793927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.793927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.793927 (E_RNA)
where:
Base-Base interactions energy: -129.771
where: short stacking energy: -60.840
Base-Backbone interact. energy: -0.001
local terms energy: -74.021764
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -169.501672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.501672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.501672 (E_RNA)
where:
Base-Base interactions energy: -115.354
where: short stacking energy: -58.899
Base-Backbone interact. energy: 0.530
local terms energy: -54.677830
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -6.308
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: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -185.703525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.703525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.703525 (E_RNA)
where:
Base-Base interactions energy: -120.683
where: short stacking energy: -51.545
Base-Backbone interact. energy: -0.150
local terms energy: -64.870720
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -158.433969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.433969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.433969 (E_RNA)
where:
Base-Base interactions energy: -101.543
where: short stacking energy: -46.497
Base-Backbone interact. energy: -0.132
local terms energy: -56.758454
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -12.650
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: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -101.007947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.007947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.007947 (E_RNA)
where:
Base-Base interactions energy: -45.480
where: short stacking energy: -31.465
Base-Backbone interact. energy: -0.016
local terms energy: -55.512467
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -9.795
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: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -79.604997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.604997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.604997 (E_RNA)
where:
Base-Base interactions energy: -36.851
where: short stacking energy: -23.212
Base-Backbone interact. energy: 1.120
local terms energy: -43.874036
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -7.231
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: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -79.111853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.111853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.111853 (E_RNA)
where:
Base-Base interactions energy: -36.057
where: short stacking energy: -17.806
Base-Backbone interact. energy: 0.673
local terms energy: -43.727441
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: 1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -81.736466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.736466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.736466 (E_RNA)
where:
Base-Base interactions energy: -34.786
where: short stacking energy: -34.786
Base-Backbone interact. energy: -0.126
local terms energy: -46.823790
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -2.977
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: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -82.190064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.190064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.190064 (E_RNA)
where:
Base-Base interactions energy: -28.557
where: short stacking energy: -28.557
Base-Backbone interact. energy: -0.091
local terms energy: -53.542084
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -7.568
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: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -189.908264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.908264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.908264 (E_RNA)
where:
Base-Base interactions energy: -123.423
where: short stacking energy: -56.623
Base-Backbone interact. energy: -0.082
local terms energy: -66.403076
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -206.864249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.864249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.864249 (E_RNA)
where:
Base-Base interactions energy: -135.413
where: short stacking energy: -60.001
Base-Backbone interact. energy: -0.006
local terms energy: -71.445191
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -17.768
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: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -161.833751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.833751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.833751 (E_RNA)
where:
Base-Base interactions energy: -97.702
where: short stacking energy: -43.783
Base-Backbone interact. energy: -0.620
local terms energy: -63.511887
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -167.227159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.227159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.227159 (E_RNA)
where:
Base-Base interactions energy: -112.726
where: short stacking energy: -47.477
Base-Backbone interact. energy: -0.335
local terms energy: -54.165418
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -3.300
tors. eta vs tors. theta energy: -10.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -157.593699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.593699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.593699 (E_RNA)
where:
Base-Base interactions energy: -96.697
where: short stacking energy: -41.050
Base-Backbone interact. energy: -0.093
local terms energy: -60.803424
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -108.203528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.203528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.203528 (E_RNA)
where:
Base-Base interactions energy: -51.334
where: short stacking energy: -48.013
Base-Backbone interact. energy: -0.055
local terms energy: -56.814728
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -11.051
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: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -87.160395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.160395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.160395 (E_RNA)
where:
Base-Base interactions energy: -35.676
where: short stacking energy: -28.840
Base-Backbone interact. energy: -0.022
local terms energy: -51.462556
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -9.752
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: 8, replica: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -87.594584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.594584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.594584 (E_RNA)
where:
Base-Base interactions energy: -31.947
where: short stacking energy: -31.869
Base-Backbone interact. energy: 0.947
local terms energy: -56.595030
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -80.767052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.767052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.767052 (E_RNA)
where:
Base-Base interactions energy: -33.389
where: short stacking energy: -27.384
Base-Backbone interact. energy: 0.916
local terms energy: -48.294140
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -8.027
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -75.858012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.858012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.858012 (E_RNA)
where:
Base-Base interactions energy: -31.658
where: short stacking energy: -24.141
Base-Backbone interact. energy: -0.214
local terms energy: -43.986380
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -1.997
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: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -196.339099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.339099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.339099 (E_RNA)
where:
Base-Base interactions energy: -126.094
where: short stacking energy: -60.146
Base-Backbone interact. energy: -0.006
local terms energy: -70.239158
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -14.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -202.473481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.473481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.473481 (E_RNA)
where:
Base-Base interactions energy: -132.790
where: short stacking energy: -62.358
Base-Backbone interact. energy: -0.012
local terms energy: -69.671829
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -165.706455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.706455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.706455 (E_RNA)
where:
Base-Base interactions energy: -100.239
where: short stacking energy: -44.340
Base-Backbone interact. energy: -0.220
local terms energy: -65.247335
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -13.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -151.264636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.264636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.264636 (E_RNA)
where:
Base-Base interactions energy: -88.100
where: short stacking energy: -44.234
Base-Backbone interact. energy: 0.290
local terms energy: -63.455059
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -130.627312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.627312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.627312 (E_RNA)
where:
Base-Base interactions energy: -75.644
where: short stacking energy: -44.085
Base-Backbone interact. energy: -0.665
local terms energy: -54.318641
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -154.121461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.121461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.121461 (E_RNA)
where:
Base-Base interactions energy: -101.090
where: short stacking energy: -30.209
Base-Backbone interact. energy: -0.312
local terms energy: -52.719485
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -97.278243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.278243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.278243 (E_RNA)
where:
Base-Base interactions energy: -49.323
where: short stacking energy: -33.191
Base-Backbone interact. energy: -0.298
local terms energy: -47.657012
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -4.149
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: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -103.447981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.447981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.447981 (E_RNA)
where:
Base-Base interactions energy: -56.634
where: short stacking energy: -23.893
Base-Backbone interact. energy: -0.239
local terms energy: -46.575141
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -5.593
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: 9, replica: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -86.669793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.669793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.669793 (E_RNA)
where:
Base-Base interactions energy: -35.377
where: short stacking energy: -16.146
Base-Backbone interact. energy: 0.276
local terms energy: -51.568872
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -8.086
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -69.610084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.610084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.610084 (E_RNA)
where:
Base-Base interactions energy: -22.328
where: short stacking energy: -13.327
Base-Backbone interact. energy: -0.277
local terms energy: -47.005716
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: 1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -204.744305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.744305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.744305 (E_RNA)
where:
Base-Base interactions energy: -132.239
where: short stacking energy: -60.968
Base-Backbone interact. energy: -0.090
local terms energy: -72.415976
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -207.267553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.267553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.267553 (E_RNA)
where:
Base-Base interactions energy: -136.029
where: short stacking energy: -65.558
Base-Backbone interact. energy: -0.103
local terms energy: -71.135505
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -22.185
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: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -161.352059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.352059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.352059 (E_RNA)
where:
Base-Base interactions energy: -99.137
where: short stacking energy: -53.385
Base-Backbone interact. energy: -0.004
local terms energy: -62.211250
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -12.758
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: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -162.937346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.937346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.937346 (E_RNA)
where:
Base-Base interactions energy: -98.030
where: short stacking energy: -41.418
Base-Backbone interact. energy: -0.200
local terms energy: -64.706682
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -12.955
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: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -160.432601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.432601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.432601 (E_RNA)
where:
Base-Base interactions energy: -99.718
where: short stacking energy: -41.821
Base-Backbone interact. energy: -0.549
local terms energy: -60.165899
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -3.249
tors. eta vs tors. theta energy: -13.710
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: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -146.883250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.883250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.883250 (E_RNA)
where:
Base-Base interactions energy: -90.428
where: short stacking energy: -42.931
Base-Backbone interact. energy: -0.273
local terms energy: -56.181916
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -10.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -94.526721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.526721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.526721 (E_RNA)
where:
Base-Base interactions energy: -38.094
where: short stacking energy: -31.939
Base-Backbone interact. energy: -1.041
local terms energy: -55.391292
where:
bonds (distance) C4'-P energy: -9.021
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -162.342524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.342524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.342524 (E_RNA)
where:
Base-Base interactions energy: -104.435
where: short stacking energy: -45.880
Base-Backbone interact. energy: -0.001
local terms energy: -57.906915
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -88.588133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.588133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.588133 (E_RNA)
where:
Base-Base interactions energy: -34.032
where: short stacking energy: -30.218
Base-Backbone interact. energy: 1.158
local terms energy: -55.713400
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -7.032
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -72.004357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.004357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.004357 (E_RNA)
where:
Base-Base interactions energy: -19.546
where: short stacking energy: -18.675
Base-Backbone interact. energy: -0.808
local terms energy: -51.650629
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -214.089574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.089574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.089574 (E_RNA)
where:
Base-Base interactions energy: -142.550
where: short stacking energy: -56.202
Base-Backbone interact. energy: -0.043
local terms energy: -71.496727
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -201.892996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.892996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.892996 (E_RNA)
where:
Base-Base interactions energy: -135.336
where: short stacking energy: -62.409
Base-Backbone interact. energy: -0.134
local terms energy: -66.423061
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -165.731031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.731031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.731031 (E_RNA)
where:
Base-Base interactions energy: -101.345
where: short stacking energy: -49.763
Base-Backbone interact. energy: -0.144
local terms energy: -64.242134
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -151.949529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.949529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.949529 (E_RNA)
where:
Base-Base interactions energy: -92.186
where: short stacking energy: -39.311
Base-Backbone interact. energy: -0.168
local terms energy: -59.594897
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -157.495007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.495007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.495007 (E_RNA)
where:
Base-Base interactions energy: -96.351
where: short stacking energy: -43.168
Base-Backbone interact. energy: 0.660
local terms energy: -61.804488
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -8.674
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: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -162.739355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.739355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.739355 (E_RNA)
where:
Base-Base interactions energy: -99.874
where: short stacking energy: -44.267
Base-Backbone interact. energy: 0.293
local terms energy: -63.157478
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -10.782
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: 214
Temperature: 1.200000
Total energy: -181.204828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.204828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.204828 (E_RNA)
where:
Base-Base interactions energy: -116.015
where: short stacking energy: -50.180
Base-Backbone interact. energy: -0.009
local terms energy: -65.181617
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -79.076950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.076950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.076950 (E_RNA)
where:
Base-Base interactions energy: -38.350
where: short stacking energy: -30.974
Base-Backbone interact. energy: -0.126
local terms energy: -40.600097
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -6.828
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: 9, replica: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -71.053881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.053881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.053881 (E_RNA)
where:
Base-Base interactions energy: -26.638
where: short stacking energy: -20.700
Base-Backbone interact. energy: -0.286
local terms energy: -44.129810
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -0.018
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: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -74.487564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.487564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.487564 (E_RNA)
where:
Base-Base interactions energy: -30.536
where: short stacking energy: -27.250
Base-Backbone interact. energy: -0.171
local terms energy: -43.780269
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -4.738
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: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -214.204555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.204555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.204555 (E_RNA)
where:
Base-Base interactions energy: -140.344
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.242
local terms energy: -73.618256
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -20.071
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: 2, replica: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -203.480159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.480159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.480159 (E_RNA)
where:
Base-Base interactions energy: -130.500
where: short stacking energy: -63.276
Base-Backbone interact. energy: -0.074
local terms energy: -72.906363
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -165.176578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.176578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.176578 (E_RNA)
where:
Base-Base interactions energy: -112.864
where: short stacking energy: -41.467
Base-Backbone interact. energy: -0.206
local terms energy: -52.106917
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -153.379038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.379038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.379038 (E_RNA)
where:
Base-Base interactions energy: -90.704
where: short stacking energy: -51.629
Base-Backbone interact. energy: -0.794
local terms energy: -61.880298
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -159.346458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.346458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.346458 (E_RNA)
where:
Base-Base interactions energy: -100.524
where: short stacking energy: -40.720
Base-Backbone interact. energy: 0.317
local terms energy: -59.139266
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -7.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -179.351588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.351588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.351588 (E_RNA)
where:
Base-Base interactions energy: -120.789
where: short stacking energy: -53.835
Base-Backbone interact. energy: -0.209
local terms energy: -58.353789
where:
bonds (distance) C4'-P energy: -8.896
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -137.424914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.424914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.424914 (E_RNA)
where:
Base-Base interactions energy: -94.219
where: short stacking energy: -48.011
Base-Backbone interact. energy: -0.099
local terms energy: -43.106905
where:
bonds (distance) C4'-P energy: -7.308
bonds (distance) P-C4' energy: -7.425
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: -14.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -90.794041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.794041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.794041 (E_RNA)
where:
Base-Base interactions energy: -37.914
where: short stacking energy: -33.003
Base-Backbone interact. energy: -0.067
local terms energy: -52.813259
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -4.480
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: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -73.874821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.874821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.874821 (E_RNA)
where:
Base-Base interactions energy: -25.830
where: short stacking energy: -21.999
Base-Backbone interact. energy: -0.062
local terms energy: -47.983206
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -5.993
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: 10, replica: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -66.350176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.350176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.350176 (E_RNA)
where:
Base-Base interactions energy: -15.988
where: short stacking energy: -15.988
Base-Backbone interact. energy: -0.155
local terms energy: -50.206931
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -9.117
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: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -203.820117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.820117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.820117 (E_RNA)
where:
Base-Base interactions energy: -130.238
where: short stacking energy: -54.833
Base-Backbone interact. energy: -0.200
local terms energy: -73.382362
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -208.277474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.277474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.277474 (E_RNA)
where:
Base-Base interactions energy: -143.970
where: short stacking energy: -63.494
Base-Backbone interact. energy: -0.007
local terms energy: -64.300214
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -1.281
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -176.021728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.021728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.021728 (E_RNA)
where:
Base-Base interactions energy: -109.986
where: short stacking energy: -43.145
Base-Backbone interact. energy: -0.090
local terms energy: -65.945668
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -181.212178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.212178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.212178 (E_RNA)
where:
Base-Base interactions energy: -120.682
where: short stacking energy: -51.854
Base-Backbone interact. energy: -0.229
local terms energy: -60.301863
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -164.239853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.239853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.239853 (E_RNA)
where:
Base-Base interactions energy: -107.877
where: short stacking energy: -50.021
Base-Backbone interact. energy: -0.016
local terms energy: -56.346555
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -8.590
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -152.562122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.562122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.562122 (E_RNA)
where:
Base-Base interactions energy: -96.464
where: short stacking energy: -46.624
Base-Backbone interact. energy: -0.044
local terms energy: -56.053961
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -14.055
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: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -146.043879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.043879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.043879 (E_RNA)
where:
Base-Base interactions energy: -96.659
where: short stacking energy: -47.562
Base-Backbone interact. energy: -0.191
local terms energy: -49.193327
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -7.042
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: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -111.982498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.982498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.982498 (E_RNA)
where:
Base-Base interactions energy: -54.828
where: short stacking energy: -32.179
Base-Backbone interact. energy: -0.005
local terms energy: -57.148706
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -2.430
tors. eta vs tors. theta energy: -8.192
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: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -84.829312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.829312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.829312 (E_RNA)
where:
Base-Base interactions energy: -36.798
where: short stacking energy: -21.424
Base-Backbone interact. energy: 4.210
local terms energy: -52.241192
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -69.832116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.832116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.832116 (E_RNA)
where:
Base-Base interactions energy: -27.251
where: short stacking energy: -18.063
Base-Backbone interact. energy: -0.301
local terms energy: -42.280428
where:
bonds (distance) C4'-P energy: -7.729
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -208.971864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.971864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.971864 (E_RNA)
where:
Base-Base interactions energy: -134.167
where: short stacking energy: -60.418
Base-Backbone interact. energy: -0.440
local terms energy: -74.364631
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -198.274845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.274845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.274845 (E_RNA)
where:
Base-Base interactions energy: -123.339
where: short stacking energy: -60.090
Base-Backbone interact. energy: -0.014
local terms energy: -74.922292
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -175.490748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.490748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.490748 (E_RNA)
where:
Base-Base interactions energy: -112.356
where: short stacking energy: -53.214
Base-Backbone interact. energy: -0.001
local terms energy: -63.133376
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -3.402
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -144.209557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.209557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.209557 (E_RNA)
where:
Base-Base interactions energy: -69.648
where: short stacking energy: -48.222
Base-Backbone interact. energy: 0.323
local terms energy: -74.884242
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -157.532741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.532741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.532741 (E_RNA)
where:
Base-Base interactions energy: -99.776
where: short stacking energy: -42.110
Base-Backbone interact. energy: -0.260
local terms energy: -57.496252
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -10.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -151.513763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.513763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.513763 (E_RNA)
where:
Base-Base interactions energy: -93.704
where: short stacking energy: -44.598
Base-Backbone interact. energy: -0.099
local terms energy: -57.710520
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -142.603693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.603693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.603693 (E_RNA)
where:
Base-Base interactions energy: -95.549
where: short stacking energy: -41.992
Base-Backbone interact. energy: 2.051
local terms energy: -49.106071
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -9.238
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -4.208
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: 8, replica: 3
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -73.628886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.628886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.628886 (E_RNA)
where:
Base-Base interactions energy: -23.033
where: short stacking energy: -22.797
Base-Backbone interact. energy: 0.023
local terms energy: -50.618662
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -82.243650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.243650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.243650 (E_RNA)
where:
Base-Base interactions energy: -36.845
where: short stacking energy: -16.089
Base-Backbone interact. energy: -0.854
local terms energy: -44.543935
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -2.273
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: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -83.071006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.071006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.071006 (E_RNA)
where:
Base-Base interactions energy: -33.350
where: short stacking energy: -32.704
Base-Backbone interact. energy: -0.097
local terms energy: -49.623854
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -7.052
flat angles P-C4'-P energy: -7.692
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: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -211.912325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.912325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.912325 (E_RNA)
where:
Base-Base interactions energy: -141.974
where: short stacking energy: -62.422
Base-Backbone interact. energy: -0.018
local terms energy: -69.920620
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -20.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -190.599259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.599259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.599259 (E_RNA)
where:
Base-Base interactions energy: -117.677
where: short stacking energy: -57.139
Base-Backbone interact. energy: -0.498
local terms energy: -72.424226
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -162.787590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.787590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.787590 (E_RNA)
where:
Base-Base interactions energy: -103.004
where: short stacking energy: -45.312
Base-Backbone interact. energy: 0.388
local terms energy: -60.172571
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -10.498
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: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -142.688308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.688308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.688308 (E_RNA)
where:
Base-Base interactions energy: -89.534
where: short stacking energy: -36.344
Base-Backbone interact. energy: 0.071
local terms energy: -53.225876
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -5.647
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -9.487
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: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -153.392010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.392010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.392010 (E_RNA)
where:
Base-Base interactions energy: -92.503
where: short stacking energy: -41.419
Base-Backbone interact. energy: -0.250
local terms energy: -60.639797
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -8.583
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: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -146.493115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.493115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.493115 (E_RNA)
where:
Base-Base interactions energy: -90.280
where: short stacking energy: -40.955
Base-Backbone interact. energy: -0.190
local terms energy: -56.022241
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -9.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -155.834736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.834736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.834736 (E_RNA)
where:
Base-Base interactions energy: -88.590
where: short stacking energy: -40.531
Base-Backbone interact. energy: -0.373
local terms energy: -66.871800
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -8.203
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: 8, replica: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -79.278667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.278667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.278667 (E_RNA)
where:
Base-Base interactions energy: -38.749
where: short stacking energy: -24.339
Base-Backbone interact. energy: -0.120
local terms energy: -40.409718
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: 0.339
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: 9, replica: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -79.695179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.695179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.695179 (E_RNA)
where:
Base-Base interactions energy: -32.039
where: short stacking energy: -13.164
Base-Backbone interact. energy: -0.127
local terms energy: -47.529284
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.672
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: 10, replica: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -75.785809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.785809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.785809 (E_RNA)
where:
Base-Base interactions energy: -30.239
where: short stacking energy: -25.688
Base-Backbone interact. energy: -0.257
local terms energy: -45.289915
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: 0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -208.500487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.500487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.500487 (E_RNA)
where:
Base-Base interactions energy: -135.887
where: short stacking energy: -66.427
Base-Backbone interact. energy: -0.001
local terms energy: -72.612799
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -18.506
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: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -196.382600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.382600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.382600 (E_RNA)
where:
Base-Base interactions energy: -124.037
where: short stacking energy: -62.870
Base-Backbone interact. energy: -0.101
local terms energy: -72.243986
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -166.691762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.691762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.691762 (E_RNA)
where:
Base-Base interactions energy: -104.507
where: short stacking energy: -46.026
Base-Backbone interact. energy: -0.405
local terms energy: -61.780145
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -11.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -171.755353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.755353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.755353 (E_RNA)
where:
Base-Base interactions energy: -106.659
where: short stacking energy: -41.103
Base-Backbone interact. energy: -0.935
local terms energy: -64.161216
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -152.238266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.238266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.238266 (E_RNA)
where:
Base-Base interactions energy: -89.572
where: short stacking energy: -43.257
Base-Backbone interact. energy: -0.059
local terms energy: -62.607053
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -141.115715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.115715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.115715 (E_RNA)
where:
Base-Base interactions energy: -91.824
where: short stacking energy: -40.743
Base-Backbone interact. energy: -0.108
local terms energy: -49.183216
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -8.171
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -10.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -104.817709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.817709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.817709 (E_RNA)
where:
Base-Base interactions energy: -63.517
where: short stacking energy: -29.772
Base-Backbone interact. energy: -0.196
local terms energy: -41.104134
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -0.641
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: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -77.381595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.381595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.381595 (E_RNA)
where:
Base-Base interactions energy: -31.969
where: short stacking energy: -21.660
Base-Backbone interact. energy: -0.154
local terms energy: -45.258362
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: 1.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -80.980738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.980738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.980738 (E_RNA)
where:
Base-Base interactions energy: -25.716
where: short stacking energy: -24.776
Base-Backbone interact. energy: -0.106
local terms energy: -55.158685
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -82.838606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.838606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.838606 (E_RNA)
where:
Base-Base interactions energy: -31.473
where: short stacking energy: -31.473
Base-Backbone interact. energy: -0.014
local terms energy: -51.350894
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -7.763
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -7.596
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: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -194.850616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.850616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.850616 (E_RNA)
where:
Base-Base interactions energy: -123.647
where: short stacking energy: -61.495
Base-Backbone interact. energy: -0.122
local terms energy: -71.082357
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -194.986487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.986487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.986487 (E_RNA)
where:
Base-Base interactions energy: -127.230
where: short stacking energy: -55.163
Base-Backbone interact. energy: -0.239
local terms energy: -67.516839
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -187.961090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.961090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.961090 (E_RNA)
where:
Base-Base interactions energy: -117.234
where: short stacking energy: -54.585
Base-Backbone interact. energy: -0.264
local terms energy: -70.462956
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -20.389
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: 220
Temperature: 1.050000
Total energy: -155.234572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.234572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.234572 (E_RNA)
where:
Base-Base interactions energy: -89.872
where: short stacking energy: -44.277
Base-Backbone interact. energy: -0.013
local terms energy: -65.349692
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -11.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -159.514642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.514642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.514642 (E_RNA)
where:
Base-Base interactions energy: -96.740
where: short stacking energy: -43.207
Base-Backbone interact. energy: -0.184
local terms energy: -62.591205
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -138.534480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.534480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.534480 (E_RNA)
where:
Base-Base interactions energy: -85.597
where: short stacking energy: -39.576
Base-Backbone interact. energy: -0.521
local terms energy: -52.416886
where:
bonds (distance) C4'-P energy: -9.261
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -11.262
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: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -81.563095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.563095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.563095 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -30.229
Base-Backbone interact. energy: -0.085
local terms energy: -51.249811
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: -8.262
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -7.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -88.355528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.355528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.355528 (E_RNA)
where:
Base-Base interactions energy: -42.443
where: short stacking energy: -32.324
Base-Backbone interact. energy: -0.099
local terms energy: -45.812859
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -90.136586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.136586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.136586 (E_RNA)
where:
Base-Base interactions energy: -41.597
where: short stacking energy: -23.077
Base-Backbone interact. energy: -0.650
local terms energy: -47.889777
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -84.812196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.812196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.812196 (E_RNA)
where:
Base-Base interactions energy: -45.169
where: short stacking energy: -31.249
Base-Backbone interact. energy: -0.159
local terms energy: -39.484600
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -8.520
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -2.443
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: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -216.432670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.432670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.432670 (E_RNA)
where:
Base-Base interactions energy: -144.134
where: short stacking energy: -66.961
Base-Backbone interact. energy: -0.017
local terms energy: -72.281606
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -199.924354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.924354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.924354 (E_RNA)
where:
Base-Base interactions energy: -131.762
where: short stacking energy: -56.544
Base-Backbone interact. energy: -0.092
local terms energy: -68.070448
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -187.422785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.422785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.422785 (E_RNA)
where:
Base-Base interactions energy: -124.024
where: short stacking energy: -55.833
Base-Backbone interact. energy: 0.392
local terms energy: -63.790562
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -13.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -150.811597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.811597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.811597 (E_RNA)
where:
Base-Base interactions energy: -92.532
where: short stacking energy: -46.212
Base-Backbone interact. energy: 2.005
local terms energy: -60.285477
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -9.113
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -173.307299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.307299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.307299 (E_RNA)
where:
Base-Base interactions energy: -113.007
where: short stacking energy: -40.887
Base-Backbone interact. energy: 0.589
local terms energy: -60.889907
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -9.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -81.550913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.550913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.550913 (E_RNA)
where:
Base-Base interactions energy: -36.026
where: short stacking energy: -36.026
Base-Backbone interact. energy: -0.156
local terms energy: -45.368668
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -135.073548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.073548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.073548 (E_RNA)
where:
Base-Base interactions energy: -74.004
where: short stacking energy: -31.592
Base-Backbone interact. energy: -0.276
local terms energy: -60.793118
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -8.054
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: 2
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -87.129513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.129513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.129513 (E_RNA)
where:
Base-Base interactions energy: -46.226
where: short stacking energy: -34.354
Base-Backbone interact. energy: -0.137
local terms energy: -40.766668
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -5.266
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: -6.293
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: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -84.833209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.833209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.833209 (E_RNA)
where:
Base-Base interactions energy: -29.999
where: short stacking energy: -29.999
Base-Backbone interact. energy: -0.143
local terms energy: -54.690922
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -71.573467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.573467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.573467 (E_RNA)
where:
Base-Base interactions energy: -22.655
where: short stacking energy: -15.660
Base-Backbone interact. energy: -0.114
local terms energy: -48.804234
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -217.941596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.941596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.941596 (E_RNA)
where:
Base-Base interactions energy: -143.058
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.001
local terms energy: -74.882888
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -18.592
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: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -192.089209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.089209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.089209 (E_RNA)
where:
Base-Base interactions energy: -126.251
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.004
local terms energy: -65.834284
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -172.453016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.453016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.453016 (E_RNA)
where:
Base-Base interactions energy: -103.410
where: short stacking energy: -50.123
Base-Backbone interact. energy: -0.049
local terms energy: -68.994516
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -195.649362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.649362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.649362 (E_RNA)
where:
Base-Base interactions energy: -128.893
where: short stacking energy: -55.078
Base-Backbone interact. energy: 0.263
local terms energy: -67.019082
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -145.810871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.810871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.810871 (E_RNA)
where:
Base-Base interactions energy: -92.861
where: short stacking energy: -42.060
Base-Backbone interact. energy: 0.788
local terms energy: -53.738027
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -9.452
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: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -96.756435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.756435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.756435 (E_RNA)
where:
Base-Base interactions energy: -41.841
where: short stacking energy: -30.021
Base-Backbone interact. energy: -0.038
local terms energy: -54.877353
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -5.418
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: 7, replica: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -147.955884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.955884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.955884 (E_RNA)
where:
Base-Base interactions energy: -94.391
where: short stacking energy: -44.720
Base-Backbone interact. energy: -0.116
local terms energy: -53.448509
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -83.181134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.181134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.181134 (E_RNA)
where:
Base-Base interactions energy: -30.388
where: short stacking energy: -30.388
Base-Backbone interact. energy: -0.137
local terms energy: -52.655370
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -8.598
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: 9, replica: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -70.769827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.769827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.769827 (E_RNA)
where:
Base-Base interactions energy: -22.920
where: short stacking energy: -22.001
Base-Backbone interact. energy: -0.068
local terms energy: -47.782105
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -87.127241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.127241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.127241 (E_RNA)
where:
Base-Base interactions energy: -39.950
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.005
local terms energy: -47.172599
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -0.392
tors. eta vs tors. theta energy: -10.723
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: 223
Temperature: 0.900000
Total energy: -210.755365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.755365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.755365 (E_RNA)
where:
Base-Base interactions energy: -141.358
where: short stacking energy: -63.524
Base-Backbone interact. energy: -0.175
local terms energy: -69.222865
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -201.251258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.251258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.251258 (E_RNA)
where:
Base-Base interactions energy: -134.164
where: short stacking energy: -60.658
Base-Backbone interact. energy: -0.068
local terms energy: -67.018967
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -20.921
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: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -174.147794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.147794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.147794 (E_RNA)
where:
Base-Base interactions energy: -116.559
where: short stacking energy: -55.252
Base-Backbone interact. energy: -0.011
local terms energy: -57.578630
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -170.468989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.468989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.468989 (E_RNA)
where:
Base-Base interactions energy: -108.179
where: short stacking energy: -61.775
Base-Backbone interact. energy: -0.017
local terms energy: -62.272576
where:
bonds (distance) C4'-P energy: -9.066
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -176.951768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.951768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.951768 (E_RNA)
where:
Base-Base interactions energy: -115.348
where: short stacking energy: -51.560
Base-Backbone interact. energy: -0.287
local terms energy: -61.316317
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -151.724979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.724979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.724979 (E_RNA)
where:
Base-Base interactions energy: -93.460
where: short stacking energy: -43.886
Base-Backbone interact. energy: -0.027
local terms energy: -58.238028
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -9.421
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: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -89.255185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.255185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.255185 (E_RNA)
where:
Base-Base interactions energy: -43.760
where: short stacking energy: -29.310
Base-Backbone interact. energy: 1.206
local terms energy: -46.701788
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -7.942
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: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -80.387353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.387353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.387353 (E_RNA)
where:
Base-Base interactions energy: -30.562
where: short stacking energy: -20.779
Base-Backbone interact. energy: -0.236
local terms energy: -49.588808
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: 0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -81.904583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.904583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.904583 (E_RNA)
where:
Base-Base interactions energy: -34.770
where: short stacking energy: -20.316
Base-Backbone interact. energy: -0.198
local terms energy: -46.936812
where:
bonds (distance) C4'-P energy: -7.965
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -70.385920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.385920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.385920 (E_RNA)
where:
Base-Base interactions energy: -29.053
where: short stacking energy: -28.225
Base-Backbone interact. energy: -0.113
local terms energy: -41.219823
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -8.298
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -3.888
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: 1, replica: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -213.605476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.605476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.605476 (E_RNA)
where:
Base-Base interactions energy: -142.546
where: short stacking energy: -63.585
Base-Backbone interact. energy: -0.159
local terms energy: -70.899924
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -211.311233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.311233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.311233 (E_RNA)
where:
Base-Base interactions energy: -136.674
where: short stacking energy: -63.182
Base-Backbone interact. energy: -0.006
local terms energy: -74.630504
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -18.942
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: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -155.800213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.800213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.800213 (E_RNA)
where:
Base-Base interactions energy: -96.091
where: short stacking energy: -41.997
Base-Backbone interact. energy: -0.221
local terms energy: -59.487800
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -175.296433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.296433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.296433 (E_RNA)
where:
Base-Base interactions energy: -103.873
where: short stacking energy: -43.578
Base-Backbone interact. energy: -1.164
local terms energy: -70.259660
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -182.343999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.343999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.343999 (E_RNA)
where:
Base-Base interactions energy: -113.642
where: short stacking energy: -47.413
Base-Backbone interact. energy: 0.053
local terms energy: -68.754972
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -15.909
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: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -149.697308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.697308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.697308 (E_RNA)
where:
Base-Base interactions energy: -83.422
where: short stacking energy: -39.922
Base-Backbone interact. energy: -0.009
local terms energy: -66.265741
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -91.775830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.775830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.775830 (E_RNA)
where:
Base-Base interactions energy: -35.909
where: short stacking energy: -26.197
Base-Backbone interact. energy: 0.055
local terms energy: -55.922315
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -76.792320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.792320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.792320 (E_RNA)
where:
Base-Base interactions energy: -19.584
where: short stacking energy: -17.220
Base-Backbone interact. energy: 0.924
local terms energy: -58.132812
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -10.128
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: 224
Temperature: 1.300000
Total energy: -90.629141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.629141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.629141 (E_RNA)
where:
Base-Base interactions energy: -56.850
where: short stacking energy: -27.628
Base-Backbone interact. energy: 0.861
local terms energy: -34.640072
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -7.799
flat angles P-C4'-P energy: -8.512
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: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -71.965173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.965173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.965173 (E_RNA)
where:
Base-Base interactions energy: -26.040
where: short stacking energy: -23.133
Base-Backbone interact. energy: -0.005
local terms energy: -45.920195
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -207.033023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.033023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.033023 (E_RNA)
where:
Base-Base interactions energy: -138.329
where: short stacking energy: -60.865
Base-Backbone interact. energy: -0.009
local terms energy: -68.695218
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -169.937417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.937417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.937417 (E_RNA)
where:
Base-Base interactions energy: -104.235
where: short stacking energy: -45.484
Base-Backbone interact. energy: -0.089
local terms energy: -65.612628
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -194.451363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.451363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.451363 (E_RNA)
where:
Base-Base interactions energy: -123.930
where: short stacking energy: -61.818
Base-Backbone interact. energy: -0.130
local terms energy: -70.391891
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -16.944
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: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -183.972642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.972642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.972642 (E_RNA)
where:
Base-Base interactions energy: -121.767
where: short stacking energy: -54.402
Base-Backbone interact. energy: 0.857
local terms energy: -63.062953
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -165.776175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.776175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.776175 (E_RNA)
where:
Base-Base interactions energy: -104.719
where: short stacking energy: -46.030
Base-Backbone interact. energy: -0.080
local terms energy: -60.977171
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -12.407
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: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -153.316781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.316781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.316781 (E_RNA)
where:
Base-Base interactions energy: -93.008
where: short stacking energy: -47.323
Base-Backbone interact. energy: -0.017
local terms energy: -60.292009
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -100.654683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.654683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.654683 (E_RNA)
where:
Base-Base interactions energy: -58.239
where: short stacking energy: -34.472
Base-Backbone interact. energy: -0.563
local terms energy: -41.852479
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -8.990
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -5.468
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: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -86.278227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.278227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.278227 (E_RNA)
where:
Base-Base interactions energy: -36.299
where: short stacking energy: -28.766
Base-Backbone interact. energy: -0.236
local terms energy: -49.743085
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -68.985487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.985487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.985487 (E_RNA)
where:
Base-Base interactions energy: -24.288
where: short stacking energy: -24.288
Base-Backbone interact. energy: -0.192
local terms energy: -44.504830
where:
bonds (distance) C4'-P energy: -7.048
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -5.139
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: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -74.228303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.228303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.228303 (E_RNA)
where:
Base-Base interactions energy: -22.667
where: short stacking energy: -22.667
Base-Backbone interact. energy: -0.014
local terms energy: -51.547224
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -205.023592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.023592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.023592 (E_RNA)
where:
Base-Base interactions energy: -140.091
where: short stacking energy: -64.195
Base-Backbone interact. energy: -0.005
local terms energy: -64.927762
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -177.454876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.454876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.454876 (E_RNA)
where:
Base-Base interactions energy: -114.003
where: short stacking energy: -54.019
Base-Backbone interact. energy: -0.495
local terms energy: -62.956947
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -188.734193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.734193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.734193 (E_RNA)
where:
Base-Base interactions energy: -118.443
where: short stacking energy: -57.752
Base-Backbone interact. energy: -0.241
local terms energy: -70.050233
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -19.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -180.321018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.321018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.321018 (E_RNA)
where:
Base-Base interactions energy: -123.605
where: short stacking energy: -41.276
Base-Backbone interact. energy: -0.747
local terms energy: -55.969056
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -162.190814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.190814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.190814 (E_RNA)
where:
Base-Base interactions energy: -97.848
where: short stacking energy: -49.534
Base-Backbone interact. energy: -0.027
local terms energy: -64.316047
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -8.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -162.847673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.847673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.847673 (E_RNA)
where:
Base-Base interactions energy: -97.918
where: short stacking energy: -52.438
Base-Backbone interact. energy: -0.008
local terms energy: -64.921450
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -99.482886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.482886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.482886 (E_RNA)
where:
Base-Base interactions energy: -50.560
where: short stacking energy: -29.103
Base-Backbone interact. energy: -0.068
local terms energy: -48.854547
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -80.337890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.337890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.337890 (E_RNA)
where:
Base-Base interactions energy: -36.304
where: short stacking energy: -36.304
Base-Backbone interact. energy: -0.004
local terms energy: -44.029756
where:
bonds (distance) C4'-P energy: -7.513
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -77.544394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.544394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.544394 (E_RNA)
where:
Base-Base interactions energy: -36.218
where: short stacking energy: -12.598
Base-Backbone interact. energy: -0.473
local terms energy: -40.853322
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -5.260
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: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -77.286664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.286664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.286664 (E_RNA)
where:
Base-Base interactions energy: -27.284
where: short stacking energy: -27.284
Base-Backbone interact. energy: -0.188
local terms energy: -49.814979
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -10.730
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: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -204.290007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.290007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.290007 (E_RNA)
where:
Base-Base interactions energy: -137.213
where: short stacking energy: -54.734
Base-Backbone interact. energy: -0.038
local terms energy: -67.038839
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -180.792081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.792081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.792081 (E_RNA)
where:
Base-Base interactions energy: -112.641
where: short stacking energy: -51.879
Base-Backbone interact. energy: -0.007
local terms energy: -68.143792
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -187.821926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.821926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.821926 (E_RNA)
where:
Base-Base interactions energy: -112.569
where: short stacking energy: -53.212
Base-Backbone interact. energy: -0.703
local terms energy: -74.550012
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -152.624849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.624849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.624849 (E_RNA)
where:
Base-Base interactions energy: -86.201
where: short stacking energy: -39.611
Base-Backbone interact. energy: -0.138
local terms energy: -66.286133
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -163.198948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.198948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.198948 (E_RNA)
where:
Base-Base interactions energy: -109.839
where: short stacking energy: -47.578
Base-Backbone interact. energy: -0.032
local terms energy: -53.328068
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -8.555
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -12.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -153.325305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.325305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.325305 (E_RNA)
where:
Base-Base interactions energy: -89.928
where: short stacking energy: -44.503
Base-Backbone interact. energy: -0.466
local terms energy: -62.931038
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -12.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -85.262144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.262144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.262144 (E_RNA)
where:
Base-Base interactions energy: -38.740
where: short stacking energy: -38.740
Base-Backbone interact. energy: -0.016
local terms energy: -46.505823
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -82.170666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.170666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.170666 (E_RNA)
where:
Base-Base interactions energy: -24.737
where: short stacking energy: -20.419
Base-Backbone interact. energy: -1.586
local terms energy: -55.848394
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -7.958
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -7.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -80.133778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.133778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.133778 (E_RNA)
where:
Base-Base interactions energy: -32.935
where: short stacking energy: -31.894
Base-Backbone interact. energy: -0.079
local terms energy: -47.120325
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -5.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -82.124997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.124997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.124997 (E_RNA)
where:
Base-Base interactions energy: -40.945
where: short stacking energy: -23.507
Base-Backbone interact. energy: -0.281
local terms energy: -40.898635
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -5.909
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: 1.405
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: 6
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -169.565688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.565688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.565688 (E_RNA)
where:
Base-Base interactions energy: -112.926
where: short stacking energy: -47.155
Base-Backbone interact. energy: -0.283
local terms energy: -56.356586
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -203.107356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.107356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.107356 (E_RNA)
where:
Base-Base interactions energy: -132.280
where: short stacking energy: -56.835
Base-Backbone interact. energy: -0.044
local terms energy: -70.783259
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -17.702
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: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -193.473890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.473890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.473890 (E_RNA)
where:
Base-Base interactions energy: -120.207
where: short stacking energy: -56.302
Base-Backbone interact. energy: 0.058
local terms energy: -73.324766
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -139.324650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.324650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.324650 (E_RNA)
where:
Base-Base interactions energy: -76.094
where: short stacking energy: -42.867
Base-Backbone interact. energy: -0.013
local terms energy: -63.217898
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -156.228147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.228147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.228147 (E_RNA)
where:
Base-Base interactions energy: -99.483
where: short stacking energy: -50.634
Base-Backbone interact. energy: 1.101
local terms energy: -57.845472
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -147.567700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.567700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.567700 (E_RNA)
where:
Base-Base interactions energy: -92.792
where: short stacking energy: -44.326
Base-Backbone interact. energy: 0.987
local terms energy: -55.762871
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -85.614168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.614168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.614168 (E_RNA)
where:
Base-Base interactions energy: -31.982
where: short stacking energy: -22.349
Base-Backbone interact. energy: -0.522
local terms energy: -53.110051
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -2.920
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: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -84.650873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.650873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.650873 (E_RNA)
where:
Base-Base interactions energy: -37.591
where: short stacking energy: -37.591
Base-Backbone interact. energy: -0.048
local terms energy: -47.012318
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -7.026
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -3.504
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: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -85.471523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.471523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.471523 (E_RNA)
where:
Base-Base interactions energy: -37.587
where: short stacking energy: -32.675
Base-Backbone interact. energy: -0.083
local terms energy: -47.800980
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -74.895490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.895490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.895490 (E_RNA)
where:
Base-Base interactions energy: -40.490
where: short stacking energy: -24.604
Base-Backbone interact. energy: 2.662
local terms energy: -37.067176
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -189.821692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.821692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.821692 (E_RNA)
where:
Base-Base interactions energy: -117.193
where: short stacking energy: -56.320
Base-Backbone interact. energy: -0.629
local terms energy: -71.999280
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -17.686
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: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -201.143113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.143113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.143113 (E_RNA)
where:
Base-Base interactions energy: -126.146
where: short stacking energy: -59.327
Base-Backbone interact. energy: -0.339
local terms energy: -74.658132
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -20.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -208.433879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.433879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.433879 (E_RNA)
where:
Base-Base interactions energy: -138.054
where: short stacking energy: -63.247
Base-Backbone interact. energy: 0.084
local terms energy: -70.463715
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -23.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -154.796620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.796620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.796620 (E_RNA)
where:
Base-Base interactions energy: -92.247
where: short stacking energy: -44.118
Base-Backbone interact. energy: -0.020
local terms energy: -62.529593
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -11.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -146.570171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.570171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.570171 (E_RNA)
where:
Base-Base interactions energy: -87.310
where: short stacking energy: -35.626
Base-Backbone interact. energy: -0.024
local terms energy: -59.236821
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -155.337944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.337944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.337944 (E_RNA)
where:
Base-Base interactions energy: -97.629
where: short stacking energy: -48.520
Base-Backbone interact. energy: 0.613
local terms energy: -58.321788
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -98.475560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.475560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.475560 (E_RNA)
where:
Base-Base interactions energy: -48.588
where: short stacking energy: -23.840
Base-Backbone interact. energy: 0.329
local terms energy: -50.216853
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -2.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -78.547726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.547726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.547726 (E_RNA)
where:
Base-Base interactions energy: -35.401
where: short stacking energy: -16.278
Base-Backbone interact. energy: 0.509
local terms energy: -43.655542
where:
bonds (distance) C4'-P energy: -8.160
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -7.878
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: 9, replica: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -81.963760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.963760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.963760 (E_RNA)
where:
Base-Base interactions energy: -30.457
where: short stacking energy: -30.457
Base-Backbone interact. energy: 0.832
local terms energy: -52.338579
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -72.271620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.271620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.271620 (E_RNA)
where:
Base-Base interactions energy: -28.639
where: short stacking energy: -19.901
Base-Backbone interact. energy: -0.206
local terms energy: -43.426382
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -5.357
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: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -194.294897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.294897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.294897 (E_RNA)
where:
Base-Base interactions energy: -127.735
where: short stacking energy: -53.742
Base-Backbone interact. energy: -0.109
local terms energy: -66.450982
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -19.678
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: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -187.646200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.646200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.646200 (E_RNA)
where:
Base-Base interactions energy: -120.856
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.143
local terms energy: -66.647409
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -187.299519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.299519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.299519 (E_RNA)
where:
Base-Base interactions energy: -122.133
where: short stacking energy: -58.721
Base-Backbone interact. energy: -0.002
local terms energy: -65.164281
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -152.952412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.952412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.952412 (E_RNA)
where:
Base-Base interactions energy: -90.343
where: short stacking energy: -44.508
Base-Backbone interact. energy: -0.269
local terms energy: -62.340296
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -8.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -150.621817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.621817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.621817 (E_RNA)
where:
Base-Base interactions energy: -98.216
where: short stacking energy: -32.258
Base-Backbone interact. energy: -0.082
local terms energy: -52.323631
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -154.738197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.738197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.738197 (E_RNA)
where:
Base-Base interactions energy: -90.503
where: short stacking energy: -42.572
Base-Backbone interact. energy: -1.286
local terms energy: -62.949040
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -8.030
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: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -92.952557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.952557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.952557 (E_RNA)
where:
Base-Base interactions energy: -42.768
where: short stacking energy: -28.150
Base-Backbone interact. energy: -0.319
local terms energy: -49.865894
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -5.652
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: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -109.389640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.389640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.389640 (E_RNA)
where:
Base-Base interactions energy: -59.120
where: short stacking energy: -31.615
Base-Backbone interact. energy: -0.345
local terms energy: -49.925261
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -5.690
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: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -82.754489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.754489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.754489 (E_RNA)
where:
Base-Base interactions energy: -31.778
where: short stacking energy: -25.663
Base-Backbone interact. energy: -0.099
local terms energy: -50.877623
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -6.799
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: 10, replica: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -78.482455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.482455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.482455 (E_RNA)
where:
Base-Base interactions energy: -40.149
where: short stacking energy: -23.851
Base-Backbone interact. energy: -0.317
local terms energy: -38.016377
where:
bonds (distance) C4'-P energy: -7.575
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -3.552
tors. eta vs tors. theta energy: 1.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -202.939728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.939728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.939728 (E_RNA)
where:
Base-Base interactions energy: -132.298
where: short stacking energy: -65.503
Base-Backbone interact. energy: 0.018
local terms energy: -70.659576
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -194.574625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.574625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.574625 (E_RNA)
where:
Base-Base interactions energy: -126.001
where: short stacking energy: -56.536
Base-Backbone interact. energy: -0.091
local terms energy: -68.481942
where:
bonds (distance) C4'-P energy: -8.478
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -13.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -173.720755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.720755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.720755 (E_RNA)
where:
Base-Base interactions energy: -104.845
where: short stacking energy: -39.038
Base-Backbone interact. energy: -0.148
local terms energy: -68.728526
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -12.792
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: 231
Temperature: 1.050000
Total energy: -155.080875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.080875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.080875 (E_RNA)
where:
Base-Base interactions energy: -96.330
where: short stacking energy: -51.066
Base-Backbone interact. energy: -0.065
local terms energy: -58.685598
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -10.618
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: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -159.829591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.829591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.829591 (E_RNA)
where:
Base-Base interactions energy: -97.507
where: short stacking energy: -53.545
Base-Backbone interact. energy: -0.111
local terms energy: -62.211585
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -126.147410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.147410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.147410 (E_RNA)
where:
Base-Base interactions energy: -69.963
where: short stacking energy: -39.715
Base-Backbone interact. energy: -0.021
local terms energy: -56.163279
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -9.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -136.070987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.070987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.070987 (E_RNA)
where:
Base-Base interactions energy: -82.928
where: short stacking energy: -40.026
Base-Backbone interact. energy: -0.186
local terms energy: -52.957002
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -104.235926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.235926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.235926 (E_RNA)
where:
Base-Base interactions energy: -66.175
where: short stacking energy: -32.973
Base-Backbone interact. energy: -0.023
local terms energy: -38.038217
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -0.371
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -104.094037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.094037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.094037 (E_RNA)
where:
Base-Base interactions energy: -53.305
where: short stacking energy: -32.422
Base-Backbone interact. energy: 0.228
local terms energy: -51.017423
where:
bonds (distance) C4'-P energy: -4.941
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -7.249
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: 10, replica: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -74.135102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.135102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.135102 (E_RNA)
where:
Base-Base interactions energy: -28.800
where: short stacking energy: -25.699
Base-Backbone interact. energy: -0.542
local terms energy: -44.793320
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -1.040
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: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -206.328982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.328982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.328982 (E_RNA)
where:
Base-Base interactions energy: -139.436
where: short stacking energy: -60.028
Base-Backbone interact. energy: 0.194
local terms energy: -67.087235
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -206.392306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.392306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.392306 (E_RNA)
where:
Base-Base interactions energy: -138.670
where: short stacking energy: -60.001
Base-Backbone interact. energy: -0.000
local terms energy: -67.722180
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -167.047192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.047192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.047192 (E_RNA)
where:
Base-Base interactions energy: -105.528
where: short stacking energy: -49.357
Base-Backbone interact. energy: -0.019
local terms energy: -61.499357
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -9.393
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: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -157.706473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.706473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.706473 (E_RNA)
where:
Base-Base interactions energy: -94.769
where: short stacking energy: -47.105
Base-Backbone interact. energy: 1.154
local terms energy: -64.091025
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -161.350797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.350797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.350797 (E_RNA)
where:
Base-Base interactions energy: -105.401
where: short stacking energy: -42.154
Base-Backbone interact. energy: -0.331
local terms energy: -55.618769
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -159.966780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.966780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.966780 (E_RNA)
where:
Base-Base interactions energy: -109.921
where: short stacking energy: -45.105
Base-Backbone interact. energy: -0.138
local terms energy: -49.907838
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -3.565
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -86.953834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.953834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.953834 (E_RNA)
where:
Base-Base interactions energy: -30.698
where: short stacking energy: -30.698
Base-Backbone interact. energy: -0.096
local terms energy: -56.159462
where:
bonds (distance) C4'-P energy: -7.307
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -81.960669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.960669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.960669 (E_RNA)
where:
Base-Base interactions energy: -33.491
where: short stacking energy: -31.144
Base-Backbone interact. energy: -0.062
local terms energy: -48.407329
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -75.422045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.422045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.422045 (E_RNA)
where:
Base-Base interactions energy: -28.718
where: short stacking energy: -20.633
Base-Backbone interact. energy: -0.231
local terms energy: -46.473385
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -9.385
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: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -65.929558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.929558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.929558 (E_RNA)
where:
Base-Base interactions energy: -21.396
where: short stacking energy: -18.352
Base-Backbone interact. energy: 4.050
local terms energy: -48.583589
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -6.492
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: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -202.773459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.773459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.773459 (E_RNA)
where:
Base-Base interactions energy: -127.661
where: short stacking energy: -55.833
Base-Backbone interact. energy: -0.001
local terms energy: -75.110963
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -19.021
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: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -196.344395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.344395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.344395 (E_RNA)
where:
Base-Base interactions energy: -133.551
where: short stacking energy: -55.615
Base-Backbone interact. energy: 0.292
local terms energy: -63.085454
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -178.780744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.780744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.780744 (E_RNA)
where:
Base-Base interactions energy: -113.647
where: short stacking energy: -49.748
Base-Backbone interact. energy: -0.126
local terms energy: -65.007443
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -13.616
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: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -167.803542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.803542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.803542 (E_RNA)
where:
Base-Base interactions energy: -104.749
where: short stacking energy: -52.629
Base-Backbone interact. energy: -0.873
local terms energy: -62.181119
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -12.466
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: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -151.645317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.645317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.645317 (E_RNA)
where:
Base-Base interactions energy: -101.475
where: short stacking energy: -43.956
Base-Backbone interact. energy: -0.355
local terms energy: -49.815830
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -8.361
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: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -143.806771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.806771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.806771 (E_RNA)
where:
Base-Base interactions energy: -86.903
where: short stacking energy: -37.591
Base-Backbone interact. energy: -0.239
local terms energy: -56.664673
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -96.566349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.566349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.566349 (E_RNA)
where:
Base-Base interactions energy: -49.553
where: short stacking energy: -29.139
Base-Backbone interact. energy: -1.566
local terms energy: -45.447552
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -1.403
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -90.008396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.008396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.008396 (E_RNA)
where:
Base-Base interactions energy: -39.551
where: short stacking energy: -33.036
Base-Backbone interact. energy: -0.071
local terms energy: -50.386417
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -1.766
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: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -77.426637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.426637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.426637 (E_RNA)
where:
Base-Base interactions energy: -34.122
where: short stacking energy: -34.122
Base-Backbone interact. energy: 0.064
local terms energy: -43.368460
where:
bonds (distance) C4'-P energy: -6.152
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -70.260418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.260418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.260418 (E_RNA)
where:
Base-Base interactions energy: -26.915
where: short stacking energy: -19.212
Base-Backbone interact. energy: -0.152
local terms energy: -43.193845
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -7.119
flat angles P-C4'-P energy: -7.564
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: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -206.494513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.494513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.494513 (E_RNA)
where:
Base-Base interactions energy: -136.311
where: short stacking energy: -55.459
Base-Backbone interact. energy: -0.094
local terms energy: -70.089384
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -201.987572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.987572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.987572 (E_RNA)
where:
Base-Base interactions energy: -137.301
where: short stacking energy: -59.198
Base-Backbone interact. energy: -0.107
local terms energy: -64.578786
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -156.670057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.670057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.670057 (E_RNA)
where:
Base-Base interactions energy: -93.625
where: short stacking energy: -34.985
Base-Backbone interact. energy: -0.779
local terms energy: -62.266170
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -10.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -167.907147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.907147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.907147 (E_RNA)
where:
Base-Base interactions energy: -112.830
where: short stacking energy: -46.886
Base-Backbone interact. energy: -0.101
local terms energy: -54.975340
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -13.208
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: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -160.075715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.075715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.075715 (E_RNA)
where:
Base-Base interactions energy: -104.033
where: short stacking energy: -52.155
Base-Backbone interact. energy: -0.012
local terms energy: -56.031094
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -2.637
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -94.260263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.260263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.260263 (E_RNA)
where:
Base-Base interactions energy: -38.919
where: short stacking energy: -33.707
Base-Backbone interact. energy: -0.868
local terms energy: -54.472669
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -3.768
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: 234
Temperature: 1.200000
Total energy: -88.084730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.084730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.084730 (E_RNA)
where:
Base-Base interactions energy: -30.683
where: short stacking energy: -30.683
Base-Backbone interact. energy: 0.897
local terms energy: -58.298719
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -13.651
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: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -86.139950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.139950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.139950 (E_RNA)
where:
Base-Base interactions energy: -38.347
where: short stacking energy: -27.496
Base-Backbone interact. energy: -1.154
local terms energy: -46.639794
where:
bonds (distance) C4'-P energy: -8.437
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -78.522629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.522629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.522629 (E_RNA)
where:
Base-Base interactions energy: -27.769
where: short stacking energy: -27.469
Base-Backbone interact. energy: -0.108
local terms energy: -50.645536
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -72.282739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.282739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.282739 (E_RNA)
where:
Base-Base interactions energy: -24.754
where: short stacking energy: -23.258
Base-Backbone interact. energy: 1.150
local terms energy: -48.678585
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -2.779
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: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -200.706169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.706169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.706169 (E_RNA)
where:
Base-Base interactions energy: -129.169
where: short stacking energy: -51.409
Base-Backbone interact. energy: -0.768
local terms energy: -70.769712
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -201.096518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.096518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.096518 (E_RNA)
where:
Base-Base interactions energy: -136.295
where: short stacking energy: -64.270
Base-Backbone interact. energy: -0.001
local terms energy: -64.800582
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -19.374
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: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -158.881822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.881822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.881822 (E_RNA)
where:
Base-Base interactions energy: -104.180
where: short stacking energy: -50.595
Base-Backbone interact. energy: -0.356
local terms energy: -54.346367
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -11.126
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: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -164.034586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.034586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.034586 (E_RNA)
where:
Base-Base interactions energy: -102.343
where: short stacking energy: -50.062
Base-Backbone interact. energy: 0.320
local terms energy: -62.011068
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -161.779424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.779424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.779424 (E_RNA)
where:
Base-Base interactions energy: -99.655
where: short stacking energy: -46.757
Base-Backbone interact. energy: -0.112
local terms energy: -62.012429
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -77.529917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.529917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.529917 (E_RNA)
where:
Base-Base interactions energy: -34.673
where: short stacking energy: -17.667
Base-Backbone interact. energy: -0.940
local terms energy: -41.917019
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -6.482
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: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -80.187869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187869 (E_RNA)
where:
Base-Base interactions energy: -27.651
where: short stacking energy: -24.381
Base-Backbone interact. energy: -0.256
local terms energy: -52.280673
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: 1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -85.953361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.953361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.953361 (E_RNA)
where:
Base-Base interactions energy: -32.898
where: short stacking energy: -28.953
Base-Backbone interact. energy: 0.166
local terms energy: -53.221833
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -11.773
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: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -89.428622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.428622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.428622 (E_RNA)
where:
Base-Base interactions energy: -42.435
where: short stacking energy: -27.700
Base-Backbone interact. energy: 0.058
local terms energy: -47.051528
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -9.046
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -73.509311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.509311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.509311 (E_RNA)
where:
Base-Base interactions energy: -22.031
where: short stacking energy: -20.597
Base-Backbone interact. energy: -0.066
local terms energy: -51.412239
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -2.997
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: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -205.745608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.745608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.745608 (E_RNA)
where:
Base-Base interactions energy: -133.302
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.075
local terms energy: -72.368195
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -20.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -200.297528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.297528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.297528 (E_RNA)
where:
Base-Base interactions energy: -133.262
where: short stacking energy: -52.920
Base-Backbone interact. energy: -0.170
local terms energy: -66.865583
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -14.879
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: 236
Temperature: 1.000000
Total energy: -180.664590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.664590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.664590 (E_RNA)
where:
Base-Base interactions energy: -118.423
where: short stacking energy: -52.488
Base-Backbone interact. energy: -0.063
local terms energy: -62.178717
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -16.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -157.403026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.403026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.403026 (E_RNA)
where:
Base-Base interactions energy: -97.822
where: short stacking energy: -44.970
Base-Backbone interact. energy: -0.191
local terms energy: -59.389513
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -7.739
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: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -170.811478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.811478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.811478 (E_RNA)
where:
Base-Base interactions energy: -111.161
where: short stacking energy: -49.570
Base-Backbone interact. energy: -0.131
local terms energy: -59.519098
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -12.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -116.501624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.501624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.501624 (E_RNA)
where:
Base-Base interactions energy: -63.799
where: short stacking energy: -31.238
Base-Backbone interact. energy: -0.060
local terms energy: -52.643185
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -6.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -79.005655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.005655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.005655 (E_RNA)
where:
Base-Base interactions energy: -37.504
where: short stacking energy: -25.715
Base-Backbone interact. energy: 2.404
local terms energy: -43.905803
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -9.699
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -76.329379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.329379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.329379 (E_RNA)
where:
Base-Base interactions energy: -37.768
where: short stacking energy: -28.061
Base-Backbone interact. energy: -0.294
local terms energy: -38.266965
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -7.892
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: 0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -81.898924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.898924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.898924 (E_RNA)
where:
Base-Base interactions energy: -30.260
where: short stacking energy: -30.260
Base-Backbone interact. energy: -0.006
local terms energy: -51.633460
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -65.320268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.320268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.320268 (E_RNA)
where:
Base-Base interactions energy: -25.075
where: short stacking energy: -16.702
Base-Backbone interact. energy: 0.202
local terms energy: -40.446797
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: 3.336
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: 7
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -207.902385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.902385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.902385 (E_RNA)
where:
Base-Base interactions energy: -134.841
where: short stacking energy: -63.818
Base-Backbone interact. energy: -0.086
local terms energy: -72.974885
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: -19.975
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: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -203.824727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.824727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.824727 (E_RNA)
where:
Base-Base interactions energy: -135.064
where: short stacking energy: -54.167
Base-Backbone interact. energy: -0.112
local terms energy: -68.648938
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -17.533
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: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -205.010887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.010887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.010887 (E_RNA)
where:
Base-Base interactions energy: -138.092
where: short stacking energy: -62.243
Base-Backbone interact. energy: -0.003
local terms energy: -66.916280
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -19.730
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: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -162.198496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.198496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.198496 (E_RNA)
where:
Base-Base interactions energy: -100.954
where: short stacking energy: -47.703
Base-Backbone interact. energy: -0.248
local terms energy: -60.996570
where:
bonds (distance) C4'-P energy: -9.385
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -2.507
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -151.596008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.596008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.596008 (E_RNA)
where:
Base-Base interactions energy: -93.880
where: short stacking energy: -46.184
Base-Backbone interact. energy: -0.079
local terms energy: -57.636659
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -86.331859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.331859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.331859 (E_RNA)
where:
Base-Base interactions energy: -33.072
where: short stacking energy: -21.038
Base-Backbone interact. energy: -0.123
local terms energy: -53.136254
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: 0.214
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: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -82.051238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.051238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.051238 (E_RNA)
where:
Base-Base interactions energy: -34.821
where: short stacking energy: -22.147
Base-Backbone interact. energy: 0.625
local terms energy: -47.854474
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -8.550
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -11.878
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: 8, replica: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -79.227004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.227004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.227004 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -33.414
Base-Backbone interact. energy: 0.166
local terms energy: -45.978997
where:
bonds (distance) C4'-P energy: -7.881
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -73.320505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.320505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.320505 (E_RNA)
where:
Base-Base interactions energy: -26.425
where: short stacking energy: -26.425
Base-Backbone interact. energy: -0.200
local terms energy: -46.695337
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -75.421632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.421632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.421632 (E_RNA)
where:
Base-Base interactions energy: -23.145
where: short stacking energy: -23.145
Base-Backbone interact. energy: -0.112
local terms energy: -52.164013
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -213.523988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.523988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.523988 (E_RNA)
where:
Base-Base interactions energy: -139.229
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.213
local terms energy: -74.082001
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -21.313
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: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -203.046332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.046332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.046332 (E_RNA)
where:
Base-Base interactions energy: -135.942
where: short stacking energy: -57.380
Base-Backbone interact. energy: -0.092
local terms energy: -67.012408
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -20.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -193.094759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.094759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.094759 (E_RNA)
where:
Base-Base interactions energy: -123.204
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.005
local terms energy: -69.885129
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -19.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -156.519333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.519333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.519333 (E_RNA)
where:
Base-Base interactions energy: -91.517
where: short stacking energy: -42.413
Base-Backbone interact. energy: -0.301
local terms energy: -64.701343
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -9.466
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: 5, replica: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -155.171845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.171845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.171845 (E_RNA)
where:
Base-Base interactions energy: -94.126
where: short stacking energy: -39.261
Base-Backbone interact. energy: -0.818
local terms energy: -60.228170
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -9.501
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -87.682586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.682586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.682586 (E_RNA)
where:
Base-Base interactions energy: -27.603
where: short stacking energy: -27.603
Base-Backbone interact. energy: 0.097
local terms energy: -60.175607
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -93.102992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.102992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.102992 (E_RNA)
where:
Base-Base interactions energy: -42.471
where: short stacking energy: -42.471
Base-Backbone interact. energy: -0.150
local terms energy: -50.481585
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -7.959
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: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -83.579994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.579994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.579994 (E_RNA)
where:
Base-Base interactions energy: -40.257
where: short stacking energy: -30.635
Base-Backbone interact. energy: -0.017
local terms energy: -43.306000
where:
bonds (distance) C4'-P energy: -6.250
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -5.442
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: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -81.001423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.001423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.001423 (E_RNA)
where:
Base-Base interactions energy: -36.597
where: short stacking energy: -27.140
Base-Backbone interact. energy: -0.298
local terms energy: -44.106485
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -7.518
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: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -77.129915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.129915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.129915 (E_RNA)
where:
Base-Base interactions energy: -24.185
where: short stacking energy: -17.034
Base-Backbone interact. energy: -0.306
local terms energy: -52.639383
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: 0.453
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: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -213.571633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.571633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.571633 (E_RNA)
where:
Base-Base interactions energy: -135.411
where: short stacking energy: -59.342
Base-Backbone interact. energy: -0.084
local terms energy: -78.075835
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -196.596686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.596686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.596686 (E_RNA)
where:
Base-Base interactions energy: -127.500
where: short stacking energy: -52.716
Base-Backbone interact. energy: -0.116
local terms energy: -68.980885
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -11.748
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: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -194.210787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.210787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.210787 (E_RNA)
where:
Base-Base interactions energy: -126.929
where: short stacking energy: -63.996
Base-Backbone interact. energy: -0.000
local terms energy: -67.281304
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -161.247942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.247942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.247942 (E_RNA)
where:
Base-Base interactions energy: -104.357
where: short stacking energy: -50.087
Base-Backbone interact. energy: -0.067
local terms energy: -56.823618
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -146.585424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.585424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.585424 (E_RNA)
where:
Base-Base interactions energy: -86.504
where: short stacking energy: -38.286
Base-Backbone interact. energy: 0.959
local terms energy: -61.039886
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -11.225
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: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -102.640795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.640795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.640795 (E_RNA)
where:
Base-Base interactions energy: -51.682
where: short stacking energy: -35.484
Base-Backbone interact. energy: -0.359
local terms energy: -50.599646
where:
bonds (distance) C4'-P energy: -5.798
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -135.388443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.388443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.388443 (E_RNA)
where:
Base-Base interactions energy: -81.136
where: short stacking energy: -44.444
Base-Backbone interact. energy: -0.062
local terms energy: -54.190094
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -79.996329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.996329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.996329 (E_RNA)
where:
Base-Base interactions energy: -27.830
where: short stacking energy: -26.568
Base-Backbone interact. energy: -0.614
local terms energy: -51.552032
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -6.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -78.203125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.203125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.203125 (E_RNA)
where:
Base-Base interactions energy: -35.327
where: short stacking energy: -21.300
Base-Backbone interact. energy: -0.041
local terms energy: -42.834699
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -6.543
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: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -76.777210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.777210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.777210 (E_RNA)
where:
Base-Base interactions energy: -30.306
where: short stacking energy: -16.335
Base-Backbone interact. energy: -0.243
local terms energy: -46.228209
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -6.974
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: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -213.451407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.451407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.451407 (E_RNA)
where:
Base-Base interactions energy: -140.217
where: short stacking energy: -65.730
Base-Backbone interact. energy: -0.067
local terms energy: -73.167872
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -21.283
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: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -211.916425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.916425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.916425 (E_RNA)
where:
Base-Base interactions energy: -140.606
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.230
local terms energy: -71.080015
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -21.550
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: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -199.523886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.523886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.523886 (E_RNA)
where:
Base-Base interactions energy: -131.383
where: short stacking energy: -54.685
Base-Backbone interact. energy: -0.061
local terms energy: -68.079808
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -164.119320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.119320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.119320 (E_RNA)
where:
Base-Base interactions energy: -99.589
where: short stacking energy: -46.812
Base-Backbone interact. energy: 0.397
local terms energy: -64.927689
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -130.027666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.027666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.027666 (E_RNA)
where:
Base-Base interactions energy: -81.112
where: short stacking energy: -32.371
Base-Backbone interact. energy: 1.174
local terms energy: -50.090382
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -85.458623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.458623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.458623 (E_RNA)
where:
Base-Base interactions energy: -34.101
where: short stacking energy: -34.101
Base-Backbone interact. energy: -0.094
local terms energy: -51.264002
where:
bonds (distance) C4'-P energy: -4.623
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -149.738310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.738310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.738310 (E_RNA)
where:
Base-Base interactions energy: -95.213
where: short stacking energy: -42.893
Base-Backbone interact. energy: -0.288
local terms energy: -54.238009
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -6.801
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: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -82.910768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.910768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.910768 (E_RNA)
where:
Base-Base interactions energy: -43.897
where: short stacking energy: -27.701
Base-Backbone interact. energy: -0.439
local terms energy: -38.574674
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -7.515
flat angles P-C4'-P energy: -3.031
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -86.670029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.670029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.670029 (E_RNA)
where:
Base-Base interactions energy: -28.727
where: short stacking energy: -27.876
Base-Backbone interact. energy: 0.002
local terms energy: -57.945049
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -6.358
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: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -67.880998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.880998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.880998 (E_RNA)
where:
Base-Base interactions energy: -19.291
where: short stacking energy: -19.291
Base-Backbone interact. energy: 1.887
local terms energy: -50.476059
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -0.794
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: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -208.068962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.068962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.068962 (E_RNA)
where:
Base-Base interactions energy: -138.339
where: short stacking energy: -62.241
Base-Backbone interact. energy: -0.154
local terms energy: -69.576733
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -204.073758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.073758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.073758 (E_RNA)
where:
Base-Base interactions energy: -136.210
where: short stacking energy: -59.335
Base-Backbone interact. energy: -0.006
local terms energy: -67.857490
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -19.815
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: 241
Temperature: 1.000000
Total energy: -201.175758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.175758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.175758 (E_RNA)
where:
Base-Base interactions energy: -129.099
where: short stacking energy: -59.071
Base-Backbone interact. energy: -0.004
local terms energy: -72.072323
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -19.350
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: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -154.014696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.014696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.014696 (E_RNA)
where:
Base-Base interactions energy: -90.540
where: short stacking energy: -36.465
Base-Backbone interact. energy: -0.916
local terms energy: -62.559302
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -159.137207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.137207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.137207 (E_RNA)
where:
Base-Base interactions energy: -93.296
where: short stacking energy: -47.784
Base-Backbone interact. energy: -0.980
local terms energy: -64.861444
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -11.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -147.181957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.181957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.181957 (E_RNA)
where:
Base-Base interactions energy: -88.283
where: short stacking energy: -46.513
Base-Backbone interact. energy: -0.008
local terms energy: -58.891333
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -9.466
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: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -87.591907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.591907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.591907 (E_RNA)
where:
Base-Base interactions energy: -36.469
where: short stacking energy: -36.469
Base-Backbone interact. energy: -0.004
local terms energy: -51.118322
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -5.824
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: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -80.333417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.333417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.333417 (E_RNA)
where:
Base-Base interactions energy: -28.577
where: short stacking energy: -20.066
Base-Backbone interact. energy: -0.089
local terms energy: -51.667408
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -6.565
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: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -75.658974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.658974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.658974 (E_RNA)
where:
Base-Base interactions energy: -26.241
where: short stacking energy: -22.655
Base-Backbone interact. energy: 0.243
local terms energy: -49.660232
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: 2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -77.629647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.629647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.629647 (E_RNA)
where:
Base-Base interactions energy: -30.678
where: short stacking energy: -24.549
Base-Backbone interact. energy: -0.178
local terms energy: -46.774119
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: 4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -208.306699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.306699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.306699 (E_RNA)
where:
Base-Base interactions energy: -141.720
where: short stacking energy: -64.577
Base-Backbone interact. energy: -0.002
local terms energy: -66.583953
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -8.613
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -22.024
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: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -203.884452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.884452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.884452 (E_RNA)
where:
Base-Base interactions energy: -131.511
where: short stacking energy: -63.713
Base-Backbone interact. energy: 0.187
local terms energy: -72.559906
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -196.917855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.917855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.917855 (E_RNA)
where:
Base-Base interactions energy: -125.798
where: short stacking energy: -55.227
Base-Backbone interact. energy: -0.498
local terms energy: -70.622215
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -17.350
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: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -168.724382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.724382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.724382 (E_RNA)
where:
Base-Base interactions energy: -111.659
where: short stacking energy: -47.622
Base-Backbone interact. energy: -0.212
local terms energy: -56.852750
where:
bonds (distance) C4'-P energy: -5.654
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -154.307051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.307051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.307051 (E_RNA)
where:
Base-Base interactions energy: -86.322
where: short stacking energy: -45.258
Base-Backbone interact. energy: -1.069
local terms energy: -66.916446
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -13.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -156.638166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.638166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.638166 (E_RNA)
where:
Base-Base interactions energy: -99.082
where: short stacking energy: -40.508
Base-Backbone interact. energy: -0.451
local terms energy: -57.105242
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -11.129
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: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -84.142004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.142004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.142004 (E_RNA)
where:
Base-Base interactions energy: -31.964
where: short stacking energy: -21.105
Base-Backbone interact. energy: -0.248
local terms energy: -51.929841
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -80.015192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.015192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.015192 (E_RNA)
where:
Base-Base interactions energy: -30.483
where: short stacking energy: -30.483
Base-Backbone interact. energy: -0.153
local terms energy: -49.378518
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -6.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -87.361267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.361267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.361267 (E_RNA)
where:
Base-Base interactions energy: -38.720
where: short stacking energy: -28.300
Base-Backbone interact. energy: -0.125
local terms energy: -48.516626
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -12.369
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: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -75.872698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.872698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.872698 (E_RNA)
where:
Base-Base interactions energy: -28.615
where: short stacking energy: -17.556
Base-Backbone interact. energy: -1.032
local terms energy: -46.226169
where:
bonds (distance) C4'-P energy: -5.779
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -199.009675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.009675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.009675 (E_RNA)
where:
Base-Base interactions energy: -133.212
where: short stacking energy: -57.953
Base-Backbone interact. energy: 0.527
local terms energy: -66.325339
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -15.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -202.993729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.993729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.993729 (E_RNA)
where:
Base-Base interactions energy: -129.912
where: short stacking energy: -62.230
Base-Backbone interact. energy: 0.152
local terms energy: -73.233813
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -193.101169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.101169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.101169 (E_RNA)
where:
Base-Base interactions energy: -126.281
where: short stacking energy: -56.627
Base-Backbone interact. energy: -0.000
local terms energy: -66.820002
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -18.364
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: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -164.060436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.060436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.060436 (E_RNA)
where:
Base-Base interactions energy: -100.301
where: short stacking energy: -49.684
Base-Backbone interact. energy: -0.112
local terms energy: -63.648020
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -150.940015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.940015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.940015 (E_RNA)
where:
Base-Base interactions energy: -97.096
where: short stacking energy: -37.161
Base-Backbone interact. energy: -0.292
local terms energy: -53.551688
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -5.966
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: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -91.629314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.629314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.629314 (E_RNA)
where:
Base-Base interactions energy: -31.573
where: short stacking energy: -31.573
Base-Backbone interact. energy: -0.099
local terms energy: -59.957463
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -148.164549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.164549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.164549 (E_RNA)
where:
Base-Base interactions energy: -96.727
where: short stacking energy: -39.113
Base-Backbone interact. energy: -0.227
local terms energy: -51.210973
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -8.095
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -6.332
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: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -97.219690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.219690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.219690 (E_RNA)
where:
Base-Base interactions energy: -43.736
where: short stacking energy: -34.559
Base-Backbone interact. energy: -0.166
local terms energy: -53.317663
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -4.771
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: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -86.483497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.483497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.483497 (E_RNA)
where:
Base-Base interactions energy: -40.695
where: short stacking energy: -21.029
Base-Backbone interact. energy: -0.846
local terms energy: -44.942832
where:
bonds (distance) C4'-P energy: -7.342
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -74.523063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.523063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.523063 (E_RNA)
where:
Base-Base interactions energy: -23.732
where: short stacking energy: -20.222
Base-Backbone interact. energy: -0.045
local terms energy: -50.745276
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -209.271540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.271540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.271540 (E_RNA)
where:
Base-Base interactions energy: -133.296
where: short stacking energy: -61.266
Base-Backbone interact. energy: -0.003
local terms energy: -75.972684
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -20.539
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: 244
Temperature: 0.950000
Total energy: -200.923519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.923519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.923519 (E_RNA)
where:
Base-Base interactions energy: -132.426
where: short stacking energy: -62.083
Base-Backbone interact. energy: -0.003
local terms energy: -68.494607
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -203.747841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.747841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.747841 (E_RNA)
where:
Base-Base interactions energy: -134.032
where: short stacking energy: -62.875
Base-Backbone interact. energy: -0.165
local terms energy: -69.550716
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -159.827915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.827915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.827915 (E_RNA)
where:
Base-Base interactions energy: -100.752
where: short stacking energy: -39.577
Base-Backbone interact. energy: -0.130
local terms energy: -58.945155
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -163.121986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.121986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.121986 (E_RNA)
where:
Base-Base interactions energy: -109.758
where: short stacking energy: -40.075
Base-Backbone interact. energy: -0.425
local terms energy: -52.939154
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -8.747
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: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -99.430153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.430153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.430153 (E_RNA)
where:
Base-Base interactions energy: -45.369
where: short stacking energy: -39.479
Base-Backbone interact. energy: -0.047
local terms energy: -54.013911
where:
bonds (distance) C4'-P energy: -8.636
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -9.212
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: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -126.322767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.322767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.322767 (E_RNA)
where:
Base-Base interactions energy: -74.914
where: short stacking energy: -31.813
Base-Backbone interact. energy: -0.612
local terms energy: -50.796813
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -8.677
flat angles P-C4'-P energy: -7.592
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: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -92.341438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.341438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.341438 (E_RNA)
where:
Base-Base interactions energy: -37.491
where: short stacking energy: -21.069
Base-Backbone interact. energy: -0.073
local terms energy: -54.777923
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -8.532
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -75.570319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.570319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.570319 (E_RNA)
where:
Base-Base interactions energy: -25.476
where: short stacking energy: -25.476
Base-Backbone interact. energy: -0.036
local terms energy: -50.058467
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -8.806
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: 10, replica: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -85.666648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.666648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.666648 (E_RNA)
where:
Base-Base interactions energy: -38.414
where: short stacking energy: -38.414
Base-Backbone interact. energy: 0.671
local terms energy: -47.923988
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -6.110
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -8.205
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: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -198.131701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.131701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.131701 (E_RNA)
where:
Base-Base interactions energy: -129.518
where: short stacking energy: -61.066
Base-Backbone interact. energy: -0.150
local terms energy: -68.463771
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -200.936375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.936375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.936375 (E_RNA)
where:
Base-Base interactions energy: -130.806
where: short stacking energy: -63.283
Base-Backbone interact. energy: -0.001
local terms energy: -70.128599
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -193.790134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.790134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.790134 (E_RNA)
where:
Base-Base interactions energy: -133.681
where: short stacking energy: -57.001
Base-Backbone interact. energy: 0.586
local terms energy: -60.695991
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -170.539924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.539924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.539924 (E_RNA)
where:
Base-Base interactions energy: -109.324
where: short stacking energy: -40.298
Base-Backbone interact. energy: -0.008
local terms energy: -61.207661
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -13.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -165.328059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.328059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.328059 (E_RNA)
where:
Base-Base interactions energy: -114.152
where: short stacking energy: -47.416
Base-Backbone interact. energy: -0.356
local terms energy: -50.820510
where:
bonds (distance) C4'-P energy: -7.211
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -10.574
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: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -104.022523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.022523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.022523 (E_RNA)
where:
Base-Base interactions energy: -53.530
where: short stacking energy: -27.852
Base-Backbone interact. energy: -0.903
local terms energy: -49.590063
where:
bonds (distance) C4'-P energy: -8.200
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -2.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -91.424602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.424602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.424602 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -33.186
Base-Backbone interact. energy: -0.144
local terms energy: -58.094524
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -95.119964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.119964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.119964 (E_RNA)
where:
Base-Base interactions energy: -46.050
where: short stacking energy: -30.024
Base-Backbone interact. energy: -0.156
local terms energy: -48.913347
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -8.189
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: 9, replica: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -78.669981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.669981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.669981 (E_RNA)
where:
Base-Base interactions energy: -33.044
where: short stacking energy: -21.920
Base-Backbone interact. energy: -0.460
local terms energy: -45.166051
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -7.078
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: 1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -64.825674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.825674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.825674 (E_RNA)
where:
Base-Base interactions energy: -15.317
where: short stacking energy: -10.989
Base-Backbone interact. energy: -1.450
local terms energy: -48.059451
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: 3.811
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: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -199.769938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.769938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.769938 (E_RNA)
where:
Base-Base interactions energy: -128.076
where: short stacking energy: -61.654
Base-Backbone interact. energy: -0.088
local terms energy: -71.605107
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -190.352115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.352115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.352115 (E_RNA)
where:
Base-Base interactions energy: -120.642
where: short stacking energy: -56.837
Base-Backbone interact. energy: 0.271
local terms energy: -69.980805
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -16.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -199.946022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.946022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.946022 (E_RNA)
where:
Base-Base interactions energy: -136.075
where: short stacking energy: -56.384
Base-Backbone interact. energy: -0.114
local terms energy: -63.756365
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -17.151
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: 246
Temperature: 1.050000
Total energy: -167.394571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.394571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.394571 (E_RNA)
where:
Base-Base interactions energy: -106.460
where: short stacking energy: -52.721
Base-Backbone interact. energy: 5.132
local terms energy: -66.067111
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -14.512
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: -175.024335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.024335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.024335 (E_RNA)
where:
Base-Base interactions energy: -108.675
where: short stacking energy: -41.805
Base-Backbone interact. energy: -2.480
local terms energy: -63.869449
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -99.210910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.210910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.210910 (E_RNA)
where:
Base-Base interactions energy: -47.533
where: short stacking energy: -27.789
Base-Backbone interact. energy: -0.364
local terms energy: -51.313970
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -88.449433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.449433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.449433 (E_RNA)
where:
Base-Base interactions energy: -37.658
where: short stacking energy: -27.841
Base-Backbone interact. energy: 0.085
local terms energy: -50.876747
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -75.798624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.798624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.798624 (E_RNA)
where:
Base-Base interactions energy: -29.315
where: short stacking energy: -24.217
Base-Backbone interact. energy: -0.073
local terms energy: -46.410822
where:
bonds (distance) C4'-P energy: -5.123
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -10.943
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: 9, replica: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -99.639659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.639659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.639659 (E_RNA)
where:
Base-Base interactions energy: -55.766
where: short stacking energy: -25.091
Base-Backbone interact. energy: 1.056
local terms energy: -44.929373
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -8.890
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -2.416
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: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -84.166035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.166035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.166035 (E_RNA)
where:
Base-Base interactions energy: -25.894
where: short stacking energy: -25.894
Base-Backbone interact. energy: -0.222
local terms energy: -58.050168
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -208.481541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.481541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.481541 (E_RNA)
where:
Base-Base interactions energy: -132.594
where: short stacking energy: -62.630
Base-Backbone interact. energy: -0.003
local terms energy: -75.883816
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -200.371110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.371110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.371110 (E_RNA)
where:
Base-Base interactions energy: -131.233
where: short stacking energy: -54.528
Base-Backbone interact. energy: -0.002
local terms energy: -69.136186
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -20.301
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: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -194.286583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.286583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.286583 (E_RNA)
where:
Base-Base interactions energy: -123.384
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.008
local terms energy: -70.894396
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -18.039
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: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -155.666013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.666013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.666013 (E_RNA)
where:
Base-Base interactions energy: -86.664
where: short stacking energy: -42.840
Base-Backbone interact. energy: -0.019
local terms energy: -68.982892
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -15.354
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: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -160.688840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.688840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.688840 (E_RNA)
where:
Base-Base interactions energy: -105.979
where: short stacking energy: -41.236
Base-Backbone interact. energy: -0.038
local terms energy: -54.671724
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -90.804287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.804287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.804287 (E_RNA)
where:
Base-Base interactions energy: -35.665
where: short stacking energy: -29.977
Base-Backbone interact. energy: -1.451
local terms energy: -53.687703
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -11.845
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: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -81.484166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.484166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.484166 (E_RNA)
where:
Base-Base interactions energy: -38.306
where: short stacking energy: -34.824
Base-Backbone interact. energy: -0.253
local terms energy: -42.925434
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -9.265
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -0.214
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: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -101.218628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.218628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.218628 (E_RNA)
where:
Base-Base interactions energy: -56.657
where: short stacking energy: -23.229
Base-Backbone interact. energy: -0.132
local terms energy: -44.429582
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -78.655809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.655809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.655809 (E_RNA)
where:
Base-Base interactions energy: -43.520
where: short stacking energy: -22.266
Base-Backbone interact. energy: 1.535
local terms energy: -36.671222
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -7.465
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: 0.210
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: 247
Temperature: 1.350000
Total energy: -73.416330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.416330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.416330 (E_RNA)
where:
Base-Base interactions energy: -25.695
where: short stacking energy: -18.120
Base-Backbone interact. energy: -0.140
local terms energy: -47.581401
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: 3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -206.148947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.148947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.148947 (E_RNA)
where:
Base-Base interactions energy: -137.783
where: short stacking energy: -61.594
Base-Backbone interact. energy: -0.004
local terms energy: -68.361676
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -189.915883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.915883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.915883 (E_RNA)
where:
Base-Base interactions energy: -121.385
where: short stacking energy: -57.448
Base-Backbone interact. energy: -0.425
local terms energy: -68.106342
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -16.756
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: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -190.281001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.281001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.281001 (E_RNA)
where:
Base-Base interactions energy: -122.398
where: short stacking energy: -58.181
Base-Backbone interact. energy: 0.275
local terms energy: -68.158667
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -17.166
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: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -173.223854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.223854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.223854 (E_RNA)
where:
Base-Base interactions energy: -107.789
where: short stacking energy: -47.169
Base-Backbone interact. energy: 0.290
local terms energy: -65.724867
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -13.893
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: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -165.759193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.759193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.759193 (E_RNA)
where:
Base-Base interactions energy: -104.262
where: short stacking energy: -45.137
Base-Backbone interact. energy: 0.343
local terms energy: -61.839828
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -97.225371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.225371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.225371 (E_RNA)
where:
Base-Base interactions energy: -47.950
where: short stacking energy: -24.711
Base-Backbone interact. energy: -0.178
local terms energy: -49.097586
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -0.237
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: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -85.870912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.870912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.870912 (E_RNA)
where:
Base-Base interactions energy: -33.612
where: short stacking energy: -33.612
Base-Backbone interact. energy: -0.128
local terms energy: -52.131001
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -81.458744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.458744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.458744 (E_RNA)
where:
Base-Base interactions energy: -33.557
where: short stacking energy: -32.457
Base-Backbone interact. energy: -0.231
local terms energy: -47.670233
where:
bonds (distance) C4'-P energy: -6.578
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -5.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -78.996886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.996886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.996886 (E_RNA)
where:
Base-Base interactions energy: -32.522
where: short stacking energy: -25.351
Base-Backbone interact. energy: -0.214
local terms energy: -46.261391
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -3.220
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: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -67.578736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.578736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.578736 (E_RNA)
where:
Base-Base interactions energy: -23.058
where: short stacking energy: -23.058
Base-Backbone interact. energy: -0.105
local terms energy: -44.415881
where:
bonds (distance) C4'-P energy: -8.338
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -203.231768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.231768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.231768 (E_RNA)
where:
Base-Base interactions energy: -135.149
where: short stacking energy: -56.843
Base-Backbone interact. energy: 0.895
local terms energy: -68.976881
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -197.243578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.243578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.243578 (E_RNA)
where:
Base-Base interactions energy: -125.452
where: short stacking energy: -56.108
Base-Backbone interact. energy: -0.036
local terms energy: -71.755512
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -19.263
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: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -196.667690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.667690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.667690 (E_RNA)
where:
Base-Base interactions energy: -124.390
where: short stacking energy: -62.157
Base-Backbone interact. energy: -0.002
local terms energy: -72.275590
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -18.841
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: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -164.874335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.874335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.874335 (E_RNA)
where:
Base-Base interactions energy: -97.975
where: short stacking energy: -47.697
Base-Backbone interact. energy: -0.004
local terms energy: -66.895478
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -170.169137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.169137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.169137 (E_RNA)
where:
Base-Base interactions energy: -108.278
where: short stacking energy: -50.400
Base-Backbone interact. energy: -0.111
local terms energy: -61.779911
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -18.363
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: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -89.474220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.474220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.474220 (E_RNA)
where:
Base-Base interactions energy: -40.787
where: short stacking energy: -19.860
Base-Backbone interact. energy: -0.262
local terms energy: -48.425144
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -5.970
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: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -84.011483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.011483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.011483 (E_RNA)
where:
Base-Base interactions energy: -36.698
where: short stacking energy: -36.698
Base-Backbone interact. energy: 0.400
local terms energy: -47.713461
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -7.417
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -6.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -87.456807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.456807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.456807 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -33.586
Base-Backbone interact. energy: -0.039
local terms energy: -49.081727
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -4.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -80.772213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.772213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.772213 (E_RNA)
where:
Base-Base interactions energy: -33.569
where: short stacking energy: -18.984
Base-Backbone interact. energy: -0.277
local terms energy: -46.926677
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -4.942
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -2.524
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: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -77.036118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.036118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.036118 (E_RNA)
where:
Base-Base interactions energy: -38.510
where: short stacking energy: -13.951
Base-Backbone interact. energy: -0.071
local terms energy: -38.456097
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -7.657
flat angles C4'-P-C4' energy: -7.221
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -203.788261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.788261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.788261 (E_RNA)
where:
Base-Base interactions energy: -137.045
where: short stacking energy: -62.351
Base-Backbone interact. energy: -0.001
local terms energy: -66.742535
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -203.427383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.427383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.427383 (E_RNA)
where:
Base-Base interactions energy: -135.242
where: short stacking energy: -53.975
Base-Backbone interact. energy: -0.002
local terms energy: -68.183483
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -16.737
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: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -187.247608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.247608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.247608 (E_RNA)
where:
Base-Base interactions energy: -118.592
where: short stacking energy: -43.408
Base-Backbone interact. energy: -0.521
local terms energy: -68.134911
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -172.317958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.317958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.317958 (E_RNA)
where:
Base-Base interactions energy: -104.933
where: short stacking energy: -47.085
Base-Backbone interact. energy: -0.033
local terms energy: -67.352170
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -14.161
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: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -171.756664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.756664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.756664 (E_RNA)
where:
Base-Base interactions energy: -108.847
where: short stacking energy: -47.227
Base-Backbone interact. energy: -0.298
local terms energy: -62.611127
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -13.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -86.831936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.831936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.831936 (E_RNA)
where:
Base-Base interactions energy: -36.057
where: short stacking energy: -35.885
Base-Backbone interact. energy: -0.020
local terms energy: -50.754011
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -4.513
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: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -85.876465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.876465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.876465 (E_RNA)
where:
Base-Base interactions energy: -32.279
where: short stacking energy: -32.279
Base-Backbone interact. energy: -0.163
local terms energy: -53.435246
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -85.073802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.073802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.073802 (E_RNA)
where:
Base-Base interactions energy: -35.417
where: short stacking energy: -35.417
Base-Backbone interact. energy: -0.026
local terms energy: -49.630673
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -75.253780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.253780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.253780 (E_RNA)
where:
Base-Base interactions energy: -37.685
where: short stacking energy: -34.392
Base-Backbone interact. energy: -0.257
local terms energy: -37.312084
where:
bonds (distance) C4'-P energy: -9.662
bonds (distance) P-C4' energy: -9.003
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: -0.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -90.438086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.438086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.438086 (E_RNA)
where:
Base-Base interactions energy: -40.486
where: short stacking energy: -33.846
Base-Backbone interact. energy: 0.608
local terms energy: -50.559922
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -9.535
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: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -209.701784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.701784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.701784 (E_RNA)
where:
Base-Base interactions energy: -135.584
where: short stacking energy: -56.953
Base-Backbone interact. energy: 0.121
local terms energy: -74.238709
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -19.419
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: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -188.785927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.785927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.785927 (E_RNA)
where:
Base-Base interactions energy: -116.900
where: short stacking energy: -58.256
Base-Backbone interact. energy: -0.883
local terms energy: -71.003512
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -204.635624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.635624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.635624 (E_RNA)
where:
Base-Base interactions energy: -135.685
where: short stacking energy: -59.299
Base-Backbone interact. energy: -0.001
local terms energy: -68.949484
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -170.658332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.658332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.658332 (E_RNA)
where:
Base-Base interactions energy: -108.542
where: short stacking energy: -43.065
Base-Backbone interact. energy: -0.015
local terms energy: -62.101981
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -9.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -156.724148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.724148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.724148 (E_RNA)
where:
Base-Base interactions energy: -98.354
where: short stacking energy: -46.976
Base-Backbone interact. energy: 0.298
local terms energy: -58.667847
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -120.337501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.337501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.337501 (E_RNA)
where:
Base-Base interactions energy: -60.568
where: short stacking energy: -43.911
Base-Backbone interact. energy: -0.010
local terms energy: -59.759638
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -11.054
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: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -90.615002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.615002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.615002 (E_RNA)
where:
Base-Base interactions energy: -35.458
where: short stacking energy: -26.423
Base-Backbone interact. energy: -0.172
local terms energy: -54.984887
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -11.782
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: 8, replica: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -80.027495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.027495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.027495 (E_RNA)
where:
Base-Base interactions energy: -38.905
where: short stacking energy: -21.259
Base-Backbone interact. energy: -1.089
local terms energy: -40.033207
where:
bonds (distance) C4'-P energy: -8.142
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -6.558
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: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -100.436234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.436234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.436234 (E_RNA)
where:
Base-Base interactions energy: -47.043
where: short stacking energy: -37.662
Base-Backbone interact. energy: -0.175
local terms energy: -53.217810
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -7.234
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: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -67.600608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.600608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.600608 (E_RNA)
where:
Base-Base interactions energy: -24.085
where: short stacking energy: -21.086
Base-Backbone interact. energy: -0.114
local terms energy: -43.400859
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -3.103
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -196.973989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.973989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.973989 (E_RNA)
where:
Base-Base interactions energy: -126.588
where: short stacking energy: -63.000
Base-Backbone interact. energy: -0.307
local terms energy: -70.079020
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -207.603266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.603266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.603266 (E_RNA)
where:
Base-Base interactions energy: -136.021
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.001
local terms energy: -71.580666
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -18.656
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: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -198.949288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.949288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.949288 (E_RNA)
where:
Base-Base interactions energy: -125.761
where: short stacking energy: -50.717
Base-Backbone interact. energy: -0.171
local terms energy: -73.017612
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -17.875
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: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -172.631848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.631848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.631848 (E_RNA)
where:
Base-Base interactions energy: -103.588
where: short stacking energy: -48.049
Base-Backbone interact. energy: -0.096
local terms energy: -68.947671
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -154.429320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.429320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.429320 (E_RNA)
where:
Base-Base interactions energy: -88.617
where: short stacking energy: -50.450
Base-Backbone interact. energy: -0.481
local terms energy: -65.331920
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -94.949450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.949450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.949450 (E_RNA)
where:
Base-Base interactions energy: -48.392
where: short stacking energy: -32.825
Base-Backbone interact. energy: -0.089
local terms energy: -46.468525
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -8.691
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: 7, replica: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -98.528657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.528657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.528657 (E_RNA)
where:
Base-Base interactions energy: -49.678
where: short stacking energy: -26.435
Base-Backbone interact. energy: -0.156
local terms energy: -48.694013
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -7.242
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -3.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -90.069875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.069875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.069875 (E_RNA)
where:
Base-Base interactions energy: -49.400
where: short stacking energy: -27.908
Base-Backbone interact. energy: -0.293
local terms energy: -40.377439
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -9.055
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -85.979959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.979959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.979959 (E_RNA)
where:
Base-Base interactions energy: -40.977
where: short stacking energy: -28.926
Base-Backbone interact. energy: 3.568
local terms energy: -48.570863
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -2.066
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: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -74.302143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.302143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.302143 (E_RNA)
where:
Base-Base interactions energy: -22.657
where: short stacking energy: -17.670
Base-Backbone interact. energy: -0.184
local terms energy: -51.461533
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -206.475697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.475697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.475697 (E_RNA)
where:
Base-Base interactions energy: -133.687
where: short stacking energy: -60.664
Base-Backbone interact. energy: -0.107
local terms energy: -72.682025
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -18.832
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: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -204.630414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.630414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.630414 (E_RNA)
where:
Base-Base interactions energy: -139.113
where: short stacking energy: -61.364
Base-Backbone interact. energy: -0.008
local terms energy: -65.509179
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -205.466754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.466754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.466754 (E_RNA)
where:
Base-Base interactions energy: -135.642
where: short stacking energy: -63.962
Base-Backbone interact. energy: -0.109
local terms energy: -69.715259
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -19.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -175.202045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.202045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.202045 (E_RNA)
where:
Base-Base interactions energy: -116.191
where: short stacking energy: -55.292
Base-Backbone interact. energy: 0.504
local terms energy: -59.514789
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -157.327818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.327818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.327818 (E_RNA)
where:
Base-Base interactions energy: -102.530
where: short stacking energy: -31.449
Base-Backbone interact. energy: -0.307
local terms energy: -54.491119
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -4.659
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: 6, replica: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -81.368313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.368313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.368313 (E_RNA)
where:
Base-Base interactions energy: -37.292
where: short stacking energy: -26.407
Base-Backbone interact. energy: -0.243
local terms energy: -43.833312
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: -6.292
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: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -90.935311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.935311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.935311 (E_RNA)
where:
Base-Base interactions energy: -37.450
where: short stacking energy: -37.450
Base-Backbone interact. energy: -0.004
local terms energy: -53.481150
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -7.957
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: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -82.798657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.798657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.798657 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -15.149
Base-Backbone interact. energy: 3.113
local terms energy: -49.682790
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -67.189927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.189927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.189927 (E_RNA)
where:
Base-Base interactions energy: -20.835
where: short stacking energy: -19.486
Base-Backbone interact. energy: -0.013
local terms energy: -46.341742
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: 1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -70.813630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.813630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.813630 (E_RNA)
where:
Base-Base interactions energy: -34.305
where: short stacking energy: -25.540
Base-Backbone interact. energy: -0.100
local terms energy: -36.408200
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -7.183
flat angles C4'-P-C4' energy: -8.686
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -0.842
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: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -208.856466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.856466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.856466 (E_RNA)
where:
Base-Base interactions energy: -145.390
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.315
local terms energy: -63.151975
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -206.463704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.463704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.463704 (E_RNA)
where:
Base-Base interactions energy: -141.424
where: short stacking energy: -55.362
Base-Backbone interact. energy: -0.002
local terms energy: -65.037707
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -20.053
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: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -200.069673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.069673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.069673 (E_RNA)
where:
Base-Base interactions energy: -121.411
where: short stacking energy: -58.357
Base-Backbone interact. energy: -0.284
local terms energy: -78.374250
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -173.522277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.522277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.522277 (E_RNA)
where:
Base-Base interactions energy: -103.365
where: short stacking energy: -47.394
Base-Backbone interact. energy: -0.842
local terms energy: -69.315114
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -11.519
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: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -159.083638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.083638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.083638 (E_RNA)
where:
Base-Base interactions energy: -98.937
where: short stacking energy: -37.654
Base-Backbone interact. energy: 0.644
local terms energy: -60.790199
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -94.237662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.237662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.237662 (E_RNA)
where:
Base-Base interactions energy: -40.236
where: short stacking energy: -40.236
Base-Backbone interact. energy: -0.099
local terms energy: -53.902488
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -9.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -107.008922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.008922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.008922 (E_RNA)
where:
Base-Base interactions energy: -41.695
where: short stacking energy: -37.890
Base-Backbone interact. energy: -1.070
local terms energy: -64.243790
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -94.412035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.412035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.412035 (E_RNA)
where:
Base-Base interactions energy: -49.620
where: short stacking energy: -29.908
Base-Backbone interact. energy: 0.308
local terms energy: -45.099570
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -6.324
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: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -78.721380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.721380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.721380 (E_RNA)
where:
Base-Base interactions energy: -31.879
where: short stacking energy: -16.597
Base-Backbone interact. energy: 0.180
local terms energy: -47.023092
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -5.797
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: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -67.277587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.277587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.277587 (E_RNA)
where:
Base-Base interactions energy: -23.261
where: short stacking energy: -12.858
Base-Backbone interact. energy: -0.222
local terms energy: -43.795139
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -8.957
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: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -213.143666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.143666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.143666 (E_RNA)
where:
Base-Base interactions energy: -141.499
where: short stacking energy: -63.011
Base-Backbone interact. energy: -0.070
local terms energy: -71.574839
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -20.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -197.989069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.989069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.989069 (E_RNA)
where:
Base-Base interactions energy: -129.759
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.001
local terms energy: -68.228974
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -204.460895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.460895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.460895 (E_RNA)
where:
Base-Base interactions energy: -133.413
where: short stacking energy: -54.606
Base-Backbone interact. energy: -0.001
local terms energy: -71.046757
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -20.798
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: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -170.235972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.235972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.235972 (E_RNA)
where:
Base-Base interactions energy: -111.920
where: short stacking energy: -59.015
Base-Backbone interact. energy: -1.245
local terms energy: -57.071414
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -16.004
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: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -161.653484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.653484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.653484 (E_RNA)
where:
Base-Base interactions energy: -101.918
where: short stacking energy: -46.430
Base-Backbone interact. energy: 0.208
local terms energy: -59.943872
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -4.449
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -110.070382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.070382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.070382 (E_RNA)
where:
Base-Base interactions energy: -46.871
where: short stacking energy: -43.671
Base-Backbone interact. energy: -0.237
local terms energy: -62.962171
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -11.561
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: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -97.044279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.044279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.044279 (E_RNA)
where:
Base-Base interactions energy: -51.418
where: short stacking energy: -34.217
Base-Backbone interact. energy: 0.366
local terms energy: -45.991864
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -9.118
flat angles P-C4'-P energy: -5.937
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: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -74.530944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.530944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.530944 (E_RNA)
where:
Base-Base interactions energy: -24.026
where: short stacking energy: -13.951
Base-Backbone interact. energy: 0.937
local terms energy: -51.442123
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -84.258645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.258645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.258645 (E_RNA)
where:
Base-Base interactions energy: -40.117
where: short stacking energy: -29.456
Base-Backbone interact. energy: -0.350
local terms energy: -43.791674
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -76.093106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.093106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.093106 (E_RNA)
where:
Base-Base interactions energy: -29.189
where: short stacking energy: -26.285
Base-Backbone interact. energy: -0.094
local terms energy: -46.810499
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -7.800
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -9.076
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: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -206.525870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.525870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.525870 (E_RNA)
where:
Base-Base interactions energy: -140.973
where: short stacking energy: -65.358
Base-Backbone interact. energy: -0.004
local terms energy: -65.548815
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -209.739663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.739663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.739663 (E_RNA)
where:
Base-Base interactions energy: -142.959
where: short stacking energy: -63.789
Base-Backbone interact. energy: -0.014
local terms energy: -66.766918
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -1.104
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -198.025791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.025791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.025791 (E_RNA)
where:
Base-Base interactions energy: -130.539
where: short stacking energy: -52.462
Base-Backbone interact. energy: -0.326
local terms energy: -67.160540
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -163.706494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.706494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.706494 (E_RNA)
where:
Base-Base interactions energy: -97.911
where: short stacking energy: -41.632
Base-Backbone interact. energy: -0.142
local terms energy: -65.653347
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -8.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -176.690478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.690478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.690478 (E_RNA)
where:
Base-Base interactions energy: -107.764
where: short stacking energy: -46.348
Base-Backbone interact. energy: 0.339
local terms energy: -69.265403
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -12.015
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: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -104.584311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.584311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.584311 (E_RNA)
where:
Base-Base interactions energy: -49.742
where: short stacking energy: -44.196
Base-Backbone interact. energy: -0.015
local terms energy: -54.827929
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -8.110
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: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -83.259230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.259230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.259230 (E_RNA)
where:
Base-Base interactions energy: -28.206
where: short stacking energy: -28.060
Base-Backbone interact. energy: -0.162
local terms energy: -54.890831
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -88.084113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.084113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.084113 (E_RNA)
where:
Base-Base interactions energy: -29.943
where: short stacking energy: -29.943
Base-Backbone interact. energy: -0.091
local terms energy: -58.050266
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -9.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -73.052352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.052352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.052352 (E_RNA)
where:
Base-Base interactions energy: -26.611
where: short stacking energy: -24.526
Base-Backbone interact. energy: -0.225
local terms energy: -46.215489
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -72.101147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.101147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.101147 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -25.764
Base-Backbone interact. energy: -0.226
local terms energy: -39.624272
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -0.282
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: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -208.736757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.736757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.736757 (E_RNA)
where:
Base-Base interactions energy: -132.860
where: short stacking energy: -62.663
Base-Backbone interact. energy: -0.001
local terms energy: -75.875119
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -201.160585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.160585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.160585 (E_RNA)
where:
Base-Base interactions energy: -134.857
where: short stacking energy: -54.767
Base-Backbone interact. energy: -0.001
local terms energy: -66.302768
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: -20.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -201.341650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.341650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.341650 (E_RNA)
where:
Base-Base interactions energy: -129.914
where: short stacking energy: -56.137
Base-Backbone interact. energy: -0.111
local terms energy: -71.315964
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -164.060976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.060976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.060976 (E_RNA)
where:
Base-Base interactions energy: -100.471
where: short stacking energy: -47.570
Base-Backbone interact. energy: -0.133
local terms energy: -63.457345
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -148.146523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.146523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.146523 (E_RNA)
where:
Base-Base interactions energy: -95.182
where: short stacking energy: -46.181
Base-Backbone interact. energy: 0.595
local terms energy: -53.558998
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -94.514389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.514389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.514389 (E_RNA)
where:
Base-Base interactions energy: -44.652
where: short stacking energy: -37.535
Base-Backbone interact. energy: -0.086
local terms energy: -49.776278
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -85.991562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.991562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.991562 (E_RNA)
where:
Base-Base interactions energy: -30.615
where: short stacking energy: -29.715
Base-Backbone interact. energy: -0.143
local terms energy: -55.234203
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -89.006277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.006277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.006277 (E_RNA)
where:
Base-Base interactions energy: -35.987
where: short stacking energy: -23.252
Base-Backbone interact. energy: -0.093
local terms energy: -52.926188
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -76.692694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.692694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.692694 (E_RNA)
where:
Base-Base interactions energy: -35.522
where: short stacking energy: -23.021
Base-Backbone interact. energy: -0.084
local terms energy: -41.086772
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -9.204
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: 0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -79.380171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.380171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.380171 (E_RNA)
where:
Base-Base interactions energy: -32.372
where: short stacking energy: -22.914
Base-Backbone interact. energy: -0.258
local terms energy: -46.750141
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -204.654849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.654849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.654849 (E_RNA)
where:
Base-Base interactions energy: -133.358
where: short stacking energy: -64.684
Base-Backbone interact. energy: -0.589
local terms energy: -70.707687
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -197.231910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.231910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.231910 (E_RNA)
where:
Base-Base interactions energy: -128.143
where: short stacking energy: -57.643
Base-Backbone interact. energy: -0.002
local terms energy: -69.087302
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -190.067768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.067768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.067768 (E_RNA)
where:
Base-Base interactions energy: -116.842
where: short stacking energy: -59.516
Base-Backbone interact. energy: -0.570
local terms energy: -72.655808
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -16.711
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: 1
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -175.973421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.973421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.973421 (E_RNA)
where:
Base-Base interactions energy: -106.575
where: short stacking energy: -47.879
Base-Backbone interact. energy: -0.257
local terms energy: -69.142108
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -14.778
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: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -152.099326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.099326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.099326 (E_RNA)
where:
Base-Base interactions energy: -99.814
where: short stacking energy: -44.039
Base-Backbone interact. energy: -0.118
local terms energy: -52.167055
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -6.373
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -93.501229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.501229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.501229 (E_RNA)
where:
Base-Base interactions energy: -47.770
where: short stacking energy: -30.568
Base-Backbone interact. energy: -0.526
local terms energy: -45.205530
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -5.633
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: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -82.533892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.533892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.533892 (E_RNA)
where:
Base-Base interactions energy: -32.801
where: short stacking energy: -27.206
Base-Backbone interact. energy: 0.462
local terms energy: -50.194126
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -8.967
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: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -81.895140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.895140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.895140 (E_RNA)
where:
Base-Base interactions energy: -32.063
where: short stacking energy: -28.930
Base-Backbone interact. energy: 1.010
local terms energy: -50.842990
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -5.319
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: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -70.494478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.494478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.494478 (E_RNA)
where:
Base-Base interactions energy: -24.133
where: short stacking energy: -24.133
Base-Backbone interact. energy: -0.182
local terms energy: -46.179625
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -72.869122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.869122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.869122 (E_RNA)
where:
Base-Base interactions energy: -23.249
where: short stacking energy: -23.249
Base-Backbone interact. energy: 1.533
local terms energy: -51.152824
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -5.906
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: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -209.737691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.737691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.737691 (E_RNA)
where:
Base-Base interactions energy: -144.495
where: short stacking energy: -67.358
Base-Backbone interact. energy: -0.001
local terms energy: -65.242012
where:
bonds (distance) C4'-P energy: -8.971
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -20.803
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: 259
Temperature: 0.950000
Total energy: -184.631651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.631651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.631651 (E_RNA)
where:
Base-Base interactions energy: -117.931
where: short stacking energy: -53.951
Base-Backbone interact. energy: -0.026
local terms energy: -66.674917
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -17.437
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: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -201.180517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.180517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.180517 (E_RNA)
where:
Base-Base interactions energy: -121.963
where: short stacking energy: -53.387
Base-Backbone interact. energy: -0.281
local terms energy: -78.936637
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -154.734949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.734949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.734949 (E_RNA)
where:
Base-Base interactions energy: -90.471
where: short stacking energy: -46.642
Base-Backbone interact. energy: 0.455
local terms energy: -64.718662
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -12.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -149.877312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.877312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.877312 (E_RNA)
where:
Base-Base interactions energy: -98.582
where: short stacking energy: -42.567
Base-Backbone interact. energy: -0.055
local terms energy: -51.239591
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -11.781
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: 259
Temperature: 1.150000
Total energy: -105.715502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.715502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.715502 (E_RNA)
where:
Base-Base interactions energy: -53.496
where: short stacking energy: -26.376
Base-Backbone interact. energy: -0.266
local terms energy: -51.953494
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -91.835058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.835058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.835058 (E_RNA)
where:
Base-Base interactions energy: -44.189
where: short stacking energy: -26.893
Base-Backbone interact. energy: -0.073
local terms energy: -47.573764
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -5.701
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: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -78.001508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001508 (E_RNA)
where:
Base-Base interactions energy: -35.686
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.006
local terms energy: -42.309240
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -8.394
flat angles P-C4'-P energy: -5.043
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: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -73.469962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.469962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.469962 (E_RNA)
where:
Base-Base interactions energy: -29.388
where: short stacking energy: -25.805
Base-Backbone interact. energy: -0.262
local terms energy: -43.820839
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -8.670
flat angles P-C4'-P energy: -7.492
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: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -65.478293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.478293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.478293 (E_RNA)
where:
Base-Base interactions energy: -26.197
where: short stacking energy: -26.197
Base-Backbone interact. energy: -0.239
local terms energy: -39.042059
where:
bonds (distance) C4'-P energy: -7.696
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -7.662
flat angles P-C4'-P energy: -6.156
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: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -208.257610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.257610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.257610 (E_RNA)
where:
Base-Base interactions energy: -139.051
where: short stacking energy: -62.028
Base-Backbone interact. energy: -0.000
local terms energy: -69.206122
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -193.290089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.290089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.290089 (E_RNA)
where:
Base-Base interactions energy: -119.216
where: short stacking energy: -54.234
Base-Backbone interact. energy: -0.109
local terms energy: -73.964929
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -20.386
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: 260
Temperature: 1.000000
Total energy: -156.257715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.257715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.257715 (E_RNA)
where:
Base-Base interactions energy: -90.371
where: short stacking energy: -48.178
Base-Backbone interact. energy: 0.738
local terms energy: -66.625052
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -197.504035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.504035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.504035 (E_RNA)
where:
Base-Base interactions energy: -121.933
where: short stacking energy: -53.253
Base-Backbone interact. energy: -0.001
local terms energy: -75.569663
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -153.075974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.075974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.075974 (E_RNA)
where:
Base-Base interactions energy: -95.308
where: short stacking energy: -45.802
Base-Backbone interact. energy: -0.333
local terms energy: -57.435019
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -9.217
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -121.696589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.696589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.696589 (E_RNA)
where:
Base-Base interactions energy: -70.151
where: short stacking energy: -35.408
Base-Backbone interact. energy: -0.558
local terms energy: -50.987401
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -86.911804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.911804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.911804 (E_RNA)
where:
Base-Base interactions energy: -26.694
where: short stacking energy: -25.448
Base-Backbone interact. energy: -0.108
local terms energy: -60.109812
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -96.215202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.215202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.215202 (E_RNA)
where:
Base-Base interactions energy: -45.256
where: short stacking energy: -27.352
Base-Backbone interact. energy: -0.137
local terms energy: -50.822624
where:
bonds (distance) C4'-P energy: -7.734
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -10.073
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: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -78.061221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.061221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.061221 (E_RNA)
where:
Base-Base interactions energy: -36.701
where: short stacking energy: -20.754
Base-Backbone interact. energy: -0.505
local terms energy: -40.855254
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: 2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -73.517418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.517418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.517418 (E_RNA)
where:
Base-Base interactions energy: -23.958
where: short stacking energy: -20.738
Base-Backbone interact. energy: 0.262
local terms energy: -49.821296
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -210.698773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.698773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.698773 (E_RNA)
where:
Base-Base interactions energy: -134.401
where: short stacking energy: -65.290
Base-Backbone interact. energy: -0.000
local terms energy: -76.298114
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -185.212292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.212292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.212292 (E_RNA)
where:
Base-Base interactions energy: -122.319
where: short stacking energy: -48.256
Base-Backbone interact. energy: -0.211
local terms energy: -62.682219
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -160.045127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.045127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.045127 (E_RNA)
where:
Base-Base interactions energy: -100.237
where: short stacking energy: -41.089
Base-Backbone interact. energy: 1.040
local terms energy: -60.848662
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -4.190
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: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -198.066239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.066239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.066239 (E_RNA)
where:
Base-Base interactions energy: -130.544
where: short stacking energy: -53.041
Base-Backbone interact. energy: -0.056
local terms energy: -67.465814
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -19.418
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: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -177.118424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.118424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.118424 (E_RNA)
where:
Base-Base interactions energy: -107.814
where: short stacking energy: -38.908
Base-Backbone interact. energy: -0.028
local terms energy: -69.276739
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -97.798021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.798021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.798021 (E_RNA)
where:
Base-Base interactions energy: -42.240
where: short stacking energy: -42.240
Base-Backbone interact. energy: -0.068
local terms energy: -55.489522
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -6.261
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: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -91.958601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.958601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.958601 (E_RNA)
where:
Base-Base interactions energy: -35.373
where: short stacking energy: -34.248
Base-Backbone interact. energy: -0.192
local terms energy: -56.393462
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -8.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -85.047306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.047306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.047306 (E_RNA)
where:
Base-Base interactions energy: -34.368
where: short stacking energy: -31.626
Base-Backbone interact. energy: -0.217
local terms energy: -50.461930
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -5.018
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: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -75.964002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.964002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.964002 (E_RNA)
where:
Base-Base interactions energy: -28.187
where: short stacking energy: -24.246
Base-Backbone interact. energy: -0.018
local terms energy: -47.758896
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -4.175
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -69.980325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.980325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.980325 (E_RNA)
where:
Base-Base interactions energy: -19.255
where: short stacking energy: -18.874
Base-Backbone interact. energy: -0.239
local terms energy: -50.486788
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -10.021
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: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -209.110792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.110792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.110792 (E_RNA)
where:
Base-Base interactions energy: -131.608
where: short stacking energy: -62.316
Base-Backbone interact. energy: -0.006
local terms energy: -77.497456
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -19.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -181.008361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.008361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.008361 (E_RNA)
where:
Base-Base interactions energy: -115.224
where: short stacking energy: -54.052
Base-Backbone interact. energy: -0.017
local terms energy: -65.767268
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -13.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -187.790839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.790839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.790839 (E_RNA)
where:
Base-Base interactions energy: -115.985
where: short stacking energy: -51.598
Base-Backbone interact. energy: 0.389
local terms energy: -72.194985
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -16.847
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: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -160.111895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.111895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.111895 (E_RNA)
where:
Base-Base interactions energy: -96.348
where: short stacking energy: -48.704
Base-Backbone interact. energy: -0.037
local terms energy: -63.727209
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -11.962
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: 5, replica: 1
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -153.751312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.751312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.751312 (E_RNA)
where:
Base-Base interactions energy: -96.614
where: short stacking energy: -41.616
Base-Backbone interact. energy: -0.489
local terms energy: -56.647577
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -9.129
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -12.787
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: 6, replica: 10
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -120.568038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.568038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.568038 (E_RNA)
where:
Base-Base interactions energy: -69.368
where: short stacking energy: -32.743
Base-Backbone interact. energy: -0.233
local terms energy: -50.967824
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -5.411
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: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -91.456903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.456903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.456903 (E_RNA)
where:
Base-Base interactions energy: -45.853
where: short stacking energy: -36.726
Base-Backbone interact. energy: -0.148
local terms energy: -45.456610
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -94.511019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.511019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.511019 (E_RNA)
where:
Base-Base interactions energy: -40.191
where: short stacking energy: -31.302
Base-Backbone interact. energy: -0.131
local terms energy: -54.189054
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -72.740947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.740947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.740947 (E_RNA)
where:
Base-Base interactions energy: -28.801
where: short stacking energy: -28.801
Base-Backbone interact. energy: -0.072
local terms energy: -43.867393
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -6.973
flat angles P-C4'-P energy: -5.051
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: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -72.531569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.531569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.531569 (E_RNA)
where:
Base-Base interactions energy: -21.617
where: short stacking energy: -21.177
Base-Backbone interact. energy: -0.089
local terms energy: -50.825561
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -11.039
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: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -209.544312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.544312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.544312 (E_RNA)
where:
Base-Base interactions energy: -135.023
where: short stacking energy: -55.084
Base-Backbone interact. energy: -0.001
local terms energy: -74.520584
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -183.798448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.798448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.798448 (E_RNA)
where:
Base-Base interactions energy: -111.890
where: short stacking energy: -53.211
Base-Backbone interact. energy: -0.001
local terms energy: -71.906773
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -198.100878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.100878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.100878 (E_RNA)
where:
Base-Base interactions energy: -130.394
where: short stacking energy: -52.489
Base-Backbone interact. energy: -0.087
local terms energy: -67.619555
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -155.179180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.179180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.179180 (E_RNA)
where:
Base-Base interactions energy: -90.205
where: short stacking energy: -38.116
Base-Backbone interact. energy: -0.952
local terms energy: -64.021685
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -152.860199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.860199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.860199 (E_RNA)
where:
Base-Base interactions energy: -95.180
where: short stacking energy: -37.606
Base-Backbone interact. energy: -0.038
local terms energy: -57.642134
where:
bonds (distance) C4'-P energy: -8.515
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -10.533
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: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -127.418206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.418206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.418206 (E_RNA)
where:
Base-Base interactions energy: -77.193
where: short stacking energy: -32.352
Base-Backbone interact. energy: -0.008
local terms energy: -50.217205
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -6.011
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: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -106.883982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.883982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.883982 (E_RNA)
where:
Base-Base interactions energy: -45.087
where: short stacking energy: -43.545
Base-Backbone interact. energy: -0.155
local terms energy: -61.641670
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -10.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -80.208089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.208089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.208089 (E_RNA)
where:
Base-Base interactions energy: -39.341
where: short stacking energy: -16.594
Base-Backbone interact. energy: -0.706
local terms energy: -40.160662
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -7.590
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: 6.291
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: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -74.201787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.201787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.201787 (E_RNA)
where:
Base-Base interactions energy: -24.160
where: short stacking energy: -19.598
Base-Backbone interact. energy: -0.158
local terms energy: -49.883508
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -6.188
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: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -70.374238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.374238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.374238 (E_RNA)
where:
Base-Base interactions energy: -27.714
where: short stacking energy: -22.038
Base-Backbone interact. energy: -0.492
local terms energy: -42.168174
where:
bonds (distance) C4'-P energy: -8.412
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -204.689838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.689838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.689838 (E_RNA)
where:
Base-Base interactions energy: -132.505
where: short stacking energy: -56.579
Base-Backbone interact. energy: -0.101
local terms energy: -72.084171
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -14.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -176.277462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.277462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.277462 (E_RNA)
where:
Base-Base interactions energy: -107.788
where: short stacking energy: -57.536
Base-Backbone interact. energy: -0.089
local terms energy: -68.400403
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -198.956217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.956217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.956217 (E_RNA)
where:
Base-Base interactions energy: -131.114
where: short stacking energy: -53.390
Base-Backbone interact. energy: -0.009
local terms energy: -67.833193
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -17.065
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: 4, replica: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -149.737324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.737324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.737324 (E_RNA)
where:
Base-Base interactions energy: -91.308
where: short stacking energy: -38.000
Base-Backbone interact. energy: -1.741
local terms energy: -56.688164
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -6.234
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: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -152.029176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.029176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.029176 (E_RNA)
where:
Base-Base interactions energy: -89.715
where: short stacking energy: -38.100
Base-Backbone interact. energy: -0.159
local terms energy: -62.154877
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -10.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -122.323545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.323545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.323545 (E_RNA)
where:
Base-Base interactions energy: -81.808
where: short stacking energy: -36.128
Base-Backbone interact. energy: -1.836
local terms energy: -38.679598
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -8.241
flat angles P-C4'-P energy: -5.046
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: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -83.508764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.508764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.508764 (E_RNA)
where:
Base-Base interactions energy: -34.234
where: short stacking energy: -34.234
Base-Backbone interact. energy: -0.055
local terms energy: -49.219339
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -83.684098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.684098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.684098 (E_RNA)
where:
Base-Base interactions energy: -30.920
where: short stacking energy: -26.321
Base-Backbone interact. energy: -0.047
local terms energy: -52.716860
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -6.858
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: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -72.962512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.962512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.962512 (E_RNA)
where:
Base-Base interactions energy: -26.171
where: short stacking energy: -19.901
Base-Backbone interact. energy: -1.872
local terms energy: -44.919936
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -63.928144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.928144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.928144 (E_RNA)
where:
Base-Base interactions energy: -22.442
where: short stacking energy: -22.369
Base-Backbone interact. energy: -0.171
local terms energy: -41.315420
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -3.697
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: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -206.857489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.857489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.857489 (E_RNA)
where:
Base-Base interactions energy: -137.858
where: short stacking energy: -57.047
Base-Backbone interact. energy: -0.017
local terms energy: -68.981765
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -203.493203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.493203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.493203 (E_RNA)
where:
Base-Base interactions energy: -134.527
where: short stacking energy: -60.924
Base-Backbone interact. energy: -0.002
local terms energy: -68.964134
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -171.690009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.690009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.690009 (E_RNA)
where:
Base-Base interactions energy: -105.999
where: short stacking energy: -51.951
Base-Backbone interact. energy: -0.102
local terms energy: -65.589579
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -10.424
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: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -167.139261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.139261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.139261 (E_RNA)
where:
Base-Base interactions energy: -106.406
where: short stacking energy: -36.580
Base-Backbone interact. energy: -0.448
local terms energy: -60.285549
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -11.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -143.708469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.708469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.708469 (E_RNA)
where:
Base-Base interactions energy: -84.533
where: short stacking energy: -44.065
Base-Backbone interact. energy: -0.103
local terms energy: -59.072379
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -12.029
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: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -135.187291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.187291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.187291 (E_RNA)
where:
Base-Base interactions energy: -76.606
where: short stacking energy: -36.353
Base-Backbone interact. energy: -0.377
local terms energy: -58.204874
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -87.955240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.955240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.955240 (E_RNA)
where:
Base-Base interactions energy: -37.560
where: short stacking energy: -36.449
Base-Backbone interact. energy: -0.714
local terms energy: -49.680997
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: 0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -84.544696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.544696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.544696 (E_RNA)
where:
Base-Base interactions energy: -32.337
where: short stacking energy: -24.116
Base-Backbone interact. energy: -0.874
local terms energy: -51.333795
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -7.681
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: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -82.501234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.501234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.501234 (E_RNA)
where:
Base-Base interactions energy: -35.764
where: short stacking energy: -35.764
Base-Backbone interact. energy: -0.025
local terms energy: -46.711880
where:
bonds (distance) C4'-P energy: -3.922
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -66.859024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.859024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.859024 (E_RNA)
where:
Base-Base interactions energy: -20.363
where: short stacking energy: -20.350
Base-Backbone interact. energy: -0.221
local terms energy: -46.274814
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -8.771
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: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -205.618923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.618923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.618923 (E_RNA)
where:
Base-Base interactions energy: -135.307
where: short stacking energy: -57.838
Base-Backbone interact. energy: 0.083
local terms energy: -70.394962
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -197.054119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.054119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.054119 (E_RNA)
where:
Base-Base interactions energy: -124.760
where: short stacking energy: -56.643
Base-Backbone interact. energy: -0.070
local terms energy: -72.223877
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -178.410850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.410850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.410850 (E_RNA)
where:
Base-Base interactions energy: -111.387
where: short stacking energy: -48.040
Base-Backbone interact. energy: -0.496
local terms energy: -66.527821
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -153.716809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.716809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.716809 (E_RNA)
where:
Base-Base interactions energy: -94.837
where: short stacking energy: -40.505
Base-Backbone interact. energy: -0.050
local terms energy: -58.830404
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -9.502
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: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -152.950808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.950808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.950808 (E_RNA)
where:
Base-Base interactions energy: -91.639
where: short stacking energy: -43.620
Base-Backbone interact. energy: -0.017
local terms energy: -61.294841
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -11.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -126.603542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.603542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.603542 (E_RNA)
where:
Base-Base interactions energy: -72.977
where: short stacking energy: -32.218
Base-Backbone interact. energy: -0.093
local terms energy: -53.533836
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -7.030
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: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -81.339440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.339440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.339440 (E_RNA)
where:
Base-Base interactions energy: -24.370
where: short stacking energy: -24.470
Base-Backbone interact. energy: -0.578
local terms energy: -56.392049
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -7.171
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: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -83.161903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.161903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.161903 (E_RNA)
where:
Base-Base interactions energy: -37.046
where: short stacking energy: -35.011
Base-Backbone interact. energy: -0.284
local terms energy: -45.832442
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: 1.699
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: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -79.520722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.520722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.520722 (E_RNA)
where:
Base-Base interactions energy: -39.960
where: short stacking energy: -26.496
Base-Backbone interact. energy: -0.283
local terms energy: -39.277669
where:
bonds (distance) C4'-P energy: -8.644
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: 2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -71.687755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.687755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.687755 (E_RNA)
where:
Base-Base interactions energy: -34.792
where: short stacking energy: -24.549
Base-Backbone interact. energy: -0.181
local terms energy: -36.715250
where:
bonds (distance) C4'-P energy: -7.684
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -223.154137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.154137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.154137 (E_RNA)
where:
Base-Base interactions energy: -145.617
where: short stacking energy: -57.972
Base-Backbone interact. energy: -0.092
local terms energy: -77.445085
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -21.651
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: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -204.405028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.405028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.405028 (E_RNA)
where:
Base-Base interactions energy: -125.441
where: short stacking energy: -56.825
Base-Backbone interact. energy: -0.007
local terms energy: -78.957192
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -179.027564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.027564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.027564 (E_RNA)
where:
Base-Base interactions energy: -112.814
where: short stacking energy: -56.248
Base-Backbone interact. energy: -0.062
local terms energy: -66.151387
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -158.586519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.586519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.586519 (E_RNA)
where:
Base-Base interactions energy: -98.637
where: short stacking energy: -37.914
Base-Backbone interact. energy: -0.117
local terms energy: -59.831971
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -8.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -164.960718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.960718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.960718 (E_RNA)
where:
Base-Base interactions energy: -100.950
where: short stacking energy: -44.037
Base-Backbone interact. energy: -0.195
local terms energy: -63.815218
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -98.672027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.672027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.672027 (E_RNA)
where:
Base-Base interactions energy: -42.321
where: short stacking energy: -40.916
Base-Backbone interact. energy: -0.648
local terms energy: -55.702695
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -6.006
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: 267
Temperature: 1.200000
Total energy: -131.757749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.757749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.757749 (E_RNA)
where:
Base-Base interactions energy: -79.906
where: short stacking energy: -36.077
Base-Backbone interact. energy: -0.041
local terms energy: -51.810948
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -6.397
flat angles P-C4'-P energy: -12.440
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: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -79.902677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.902677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.902677 (E_RNA)
where:
Base-Base interactions energy: -32.762
where: short stacking energy: -21.544
Base-Backbone interact. energy: -0.201
local terms energy: -46.939244
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: 1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -74.463213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.463213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.463213 (E_RNA)
where:
Base-Base interactions energy: -31.768
where: short stacking energy: -29.637
Base-Backbone interact. energy: -0.293
local terms energy: -42.401992
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -9.360
flat angles P-C4'-P energy: -4.683
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: 10, replica: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -86.595837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.595837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.595837 (E_RNA)
where:
Base-Base interactions energy: -32.124
where: short stacking energy: -32.124
Base-Backbone interact. energy: -0.100
local terms energy: -54.371518
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -9.062
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: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -215.158677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.158677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.158677 (E_RNA)
where:
Base-Base interactions energy: -136.516
where: short stacking energy: -61.856
Base-Backbone interact. energy: -0.585
local terms energy: -78.057261
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -202.334641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.334641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.334641 (E_RNA)
where:
Base-Base interactions energy: -133.043
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.048
local terms energy: -69.243031
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -4.706
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -157.476014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.476014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.476014 (E_RNA)
where:
Base-Base interactions energy: -91.961
where: short stacking energy: -38.431
Base-Backbone interact. energy: -0.348
local terms energy: -65.166582
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -12.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -166.818035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.818035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.818035 (E_RNA)
where:
Base-Base interactions energy: -105.004
where: short stacking energy: -45.892
Base-Backbone interact. energy: 1.385
local terms energy: -63.198954
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -9.998
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: 268
Temperature: 1.100000
Total energy: -168.128369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.128369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.128369 (E_RNA)
where:
Base-Base interactions energy: -105.299
where: short stacking energy: -44.110
Base-Backbone interact. energy: -0.030
local terms energy: -62.798766
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -11.347
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: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -101.284804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.284804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.284804 (E_RNA)
where:
Base-Base interactions energy: -44.158
where: short stacking energy: -31.088
Base-Backbone interact. energy: -0.962
local terms energy: -56.165304
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -131.547012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.547012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.547012 (E_RNA)
where:
Base-Base interactions energy: -76.107
where: short stacking energy: -33.458
Base-Backbone interact. energy: -0.010
local terms energy: -55.430516
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -6.552
flat angles P-C4'-P energy: -9.849
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: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -95.946161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.946161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.946161 (E_RNA)
where:
Base-Base interactions energy: -42.114
where: short stacking energy: -29.335
Base-Backbone interact. energy: -0.962
local terms energy: -52.870254
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -7.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -76.032715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.032715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.032715 (E_RNA)
where:
Base-Base interactions energy: -30.288
where: short stacking energy: -27.361
Base-Backbone interact. energy: -0.105
local terms energy: -45.640603
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -5.561
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: 4
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -86.576445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.576445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.576445 (E_RNA)
where:
Base-Base interactions energy: -37.346
where: short stacking energy: -31.127
Base-Backbone interact. energy: -0.855
local terms energy: -48.375473
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -3.742
tors. eta vs tors. theta energy: -2.083
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: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -208.089219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.089219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.089219 (E_RNA)
where:
Base-Base interactions energy: -135.244
where: short stacking energy: -61.858
Base-Backbone interact. energy: -0.002
local terms energy: -72.843452
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -21.739
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: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -206.442423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.442423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.442423 (E_RNA)
where:
Base-Base interactions energy: -134.945
where: short stacking energy: -61.404
Base-Backbone interact. energy: -0.108
local terms energy: -71.389594
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -157.060749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.060749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.060749 (E_RNA)
where:
Base-Base interactions energy: -89.089
where: short stacking energy: -40.658
Base-Backbone interact. energy: -0.659
local terms energy: -67.311867
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -163.801776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.801776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.801776 (E_RNA)
where:
Base-Base interactions energy: -102.061
where: short stacking energy: -41.671
Base-Backbone interact. energy: -0.315
local terms energy: -61.425561
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -11.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -153.671404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.671404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.671404 (E_RNA)
where:
Base-Base interactions energy: -93.414
where: short stacking energy: -47.091
Base-Backbone interact. energy: -0.299
local terms energy: -59.957873
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -14.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -109.906976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.906976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.906976 (E_RNA)
where:
Base-Base interactions energy: -56.282
where: short stacking energy: -34.448
Base-Backbone interact. energy: -0.008
local terms energy: -53.617517
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -8.007
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -92.387505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.387505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.387505 (E_RNA)
where:
Base-Base interactions energy: -39.999
where: short stacking energy: -27.677
Base-Backbone interact. energy: -0.225
local terms energy: -52.163844
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -7.091
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: 2
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -73.171576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.171576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.171576 (E_RNA)
where:
Base-Base interactions energy: -36.550
where: short stacking energy: -20.139
Base-Backbone interact. energy: -0.238
local terms energy: -36.382727
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -8.740
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: 6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -79.831300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.831300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.831300 (E_RNA)
where:
Base-Base interactions energy: -30.407
where: short stacking energy: -26.713
Base-Backbone interact. energy: -0.380
local terms energy: -49.044234
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: 0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -88.702891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.702891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.702891 (E_RNA)
where:
Base-Base interactions energy: -39.665
where: short stacking energy: -36.567
Base-Backbone interact. energy: -0.600
local terms energy: -48.437918
where:
bonds (distance) C4'-P energy: -7.394
bonds (distance) P-C4' energy: -9.431
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -211.407266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.407266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.407266 (E_RNA)
where:
Base-Base interactions energy: -137.328
where: short stacking energy: -64.198
Base-Backbone interact. energy: -0.263
local terms energy: -73.816071
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -23.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -213.025454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.025454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.025454 (E_RNA)
where:
Base-Base interactions energy: -140.621
where: short stacking energy: -62.040
Base-Backbone interact. energy: -0.000
local terms energy: -72.404497
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -180.087628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.087628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.087628 (E_RNA)
where:
Base-Base interactions energy: -111.741
where: short stacking energy: -50.449
Base-Backbone interact. energy: -0.143
local terms energy: -68.203518
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -14.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -172.371771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.371771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.371771 (E_RNA)
where:
Base-Base interactions energy: -106.671
where: short stacking energy: -53.186
Base-Backbone interact. energy: -0.489
local terms energy: -65.211698
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -15.289
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: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -149.603458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.603458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.603458 (E_RNA)
where:
Base-Base interactions energy: -91.691
where: short stacking energy: -33.517
Base-Backbone interact. energy: -0.116
local terms energy: -57.796184
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -7.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -89.686468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.686468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.686468 (E_RNA)
where:
Base-Base interactions energy: -39.848
where: short stacking energy: -39.468
Base-Backbone interact. energy: -1.667
local terms energy: -48.171863
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -6.909
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: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -78.087698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.087698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.087698 (E_RNA)
where:
Base-Base interactions energy: -28.042
where: short stacking energy: -28.242
Base-Backbone interact. energy: -1.128
local terms energy: -48.917186
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -74.216130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.216130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.216130 (E_RNA)
where:
Base-Base interactions energy: -27.556
where: short stacking energy: -19.429
Base-Backbone interact. energy: -0.192
local terms energy: -46.468101
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -76.905942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.905942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.905942 (E_RNA)
where:
Base-Base interactions energy: -28.755
where: short stacking energy: -17.191
Base-Backbone interact. energy: -1.036
local terms energy: -47.114799
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: 0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -74.161890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.161890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.161890 (E_RNA)
where:
Base-Base interactions energy: -32.695
where: short stacking energy: -19.410
Base-Backbone interact. energy: -0.312
local terms energy: -41.155548
where:
bonds (distance) C4'-P energy: -8.918
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -6.936
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: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -213.872861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.872861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.872861 (E_RNA)
where:
Base-Base interactions energy: -138.881
where: short stacking energy: -65.071
Base-Backbone interact. energy: -0.001
local terms energy: -74.991464
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -200.892922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.892922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.892922 (E_RNA)
where:
Base-Base interactions energy: -130.877
where: short stacking energy: -59.453
Base-Backbone interact. energy: -0.166
local terms energy: -69.850519
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -169.381091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.381091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.381091 (E_RNA)
where:
Base-Base interactions energy: -107.908
where: short stacking energy: -50.880
Base-Backbone interact. energy: -0.070
local terms energy: -61.402464
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -156.631286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.631286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.631286 (E_RNA)
where:
Base-Base interactions energy: -93.123
where: short stacking energy: -45.759
Base-Backbone interact. energy: -0.032
local terms energy: -63.476283
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -149.476471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.476471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.476471 (E_RNA)
where:
Base-Base interactions energy: -86.763
where: short stacking energy: -35.321
Base-Backbone interact. energy: -0.102
local terms energy: -62.611444
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -92.298571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.298571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.298571 (E_RNA)
where:
Base-Base interactions energy: -36.649
where: short stacking energy: -32.910
Base-Backbone interact. energy: -0.005
local terms energy: -55.644639
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -5.197
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: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -92.786516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.786516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.786516 (E_RNA)
where:
Base-Base interactions energy: -38.394
where: short stacking energy: -38.394
Base-Backbone interact. energy: -0.213
local terms energy: -54.179136
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -9.620
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: 271
Temperature: 1.250000
Total energy: -94.799148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.799148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.799148 (E_RNA)
where:
Base-Base interactions energy: -53.088
where: short stacking energy: -21.445
Base-Backbone interact. energy: -0.195
local terms energy: -41.516406
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: 2.146
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: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -85.092561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.092561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.092561 (E_RNA)
where:
Base-Base interactions energy: -32.972
where: short stacking energy: -31.371
Base-Backbone interact. energy: -0.110
local terms energy: -52.011230
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -3.657
tors. eta vs tors. theta energy: -4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -66.308173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.308173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.308173 (E_RNA)
where:
Base-Base interactions energy: -23.561
where: short stacking energy: -10.912
Base-Backbone interact. energy: -0.367
local terms energy: -42.379927
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -7.437
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: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -217.697871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.697871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.697871 (E_RNA)
where:
Base-Base interactions energy: -140.395
where: short stacking energy: -61.930
Base-Backbone interact. energy: -0.903
local terms energy: -76.400134
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -210.111689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.111689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.111689 (E_RNA)
where:
Base-Base interactions energy: -141.204
where: short stacking energy: -55.066
Base-Backbone interact. energy: -0.588
local terms energy: -68.319352
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -3.382
tors. eta vs tors. theta energy: -19.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -165.225874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.225874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.225874 (E_RNA)
where:
Base-Base interactions energy: -102.271
where: short stacking energy: -43.481
Base-Backbone interact. energy: 0.205
local terms energy: -63.159769
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -8.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -151.324676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.324676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.324676 (E_RNA)
where:
Base-Base interactions energy: -85.939
where: short stacking energy: -42.336
Base-Backbone interact. energy: -0.007
local terms energy: -65.378965
where:
bonds (distance) C4'-P energy: -9.178
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -148.683697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.683697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.683697 (E_RNA)
where:
Base-Base interactions energy: -92.776
where: short stacking energy: -44.389
Base-Backbone interact. energy: -0.332
local terms energy: -55.575717
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -11.589
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: 6, replica: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -93.614876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.614876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.614876 (E_RNA)
where:
Base-Base interactions energy: -39.871
where: short stacking energy: -37.170
Base-Backbone interact. energy: -0.053
local terms energy: -53.691169
where:
bonds (distance) C4'-P energy: -6.798
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -9.688
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: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -98.760339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.760339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.760339 (E_RNA)
where:
Base-Base interactions energy: -45.063
where: short stacking energy: -29.505
Base-Backbone interact. energy: -0.247
local terms energy: -53.450529
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -11.633
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: 8, replica: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -103.468779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.468779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.468779 (E_RNA)
where:
Base-Base interactions energy: -51.524
where: short stacking energy: -36.619
Base-Backbone interact. energy: -0.036
local terms energy: -51.908743
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -11.410
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: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -80.161473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.161473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.161473 (E_RNA)
where:
Base-Base interactions energy: -30.447
where: short stacking energy: -30.447
Base-Backbone interact. energy: -0.002
local terms energy: -49.712990
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -9.289
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: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -80.096939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.096939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.096939 (E_RNA)
where:
Base-Base interactions energy: -35.958
where: short stacking energy: -33.971
Base-Backbone interact. energy: -0.017
local terms energy: -44.122032
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -5.147
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: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -209.678270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.678270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.678270 (E_RNA)
where:
Base-Base interactions energy: -129.113
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.048
local terms energy: -80.516525
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -186.677288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.677288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.677288 (E_RNA)
where:
Base-Base interactions energy: -121.262
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.094
local terms energy: -65.321000
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -17.838
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: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -201.963346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.963346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.963346 (E_RNA)
where:
Base-Base interactions energy: -128.856
where: short stacking energy: -66.520
Base-Backbone interact. energy: -0.001
local terms energy: -73.106543
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -150.391087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.391087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.391087 (E_RNA)
where:
Base-Base interactions energy: -92.210
where: short stacking energy: -38.126
Base-Backbone interact. energy: -0.411
local terms energy: -57.769867
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -6.175
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: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -137.888121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.888121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.888121 (E_RNA)
where:
Base-Base interactions energy: -82.751
where: short stacking energy: -39.851
Base-Backbone interact. energy: -0.083
local terms energy: -55.053808
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -96.483428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.483428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.483428 (E_RNA)
where:
Base-Base interactions energy: -32.820
where: short stacking energy: -32.820
Base-Backbone interact. energy: -0.002
local terms energy: -63.661942
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -77.974391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.974391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.974391 (E_RNA)
where:
Base-Base interactions energy: -31.377
where: short stacking energy: -23.036
Base-Backbone interact. energy: -0.193
local terms energy: -46.404254
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -9.168
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -96.769416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.769416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.769416 (E_RNA)
where:
Base-Base interactions energy: -50.280
where: short stacking energy: -30.627
Base-Backbone interact. energy: -0.010
local terms energy: -46.479217
where:
bonds (distance) C4'-P energy: -6.484
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -8.080
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: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -77.228132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.228132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.228132 (E_RNA)
where:
Base-Base interactions energy: -26.855
where: short stacking energy: -23.098
Base-Backbone interact. energy: -0.251
local terms energy: -50.122632
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -7.188
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: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -73.523893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.523893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.523893 (E_RNA)
where:
Base-Base interactions energy: -23.911
where: short stacking energy: -23.911
Base-Backbone interact. energy: -0.482
local terms energy: -49.130272
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -0.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -203.776128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.776128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.776128 (E_RNA)
where:
Base-Base interactions energy: -133.605
where: short stacking energy: -62.032
Base-Backbone interact. energy: -0.012
local terms energy: -70.159830
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -179.339343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.339343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.339343 (E_RNA)
where:
Base-Base interactions energy: -108.655
where: short stacking energy: -50.269
Base-Backbone interact. energy: -0.107
local terms energy: -70.577468
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -13.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -203.505484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.505484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.505484 (E_RNA)
where:
Base-Base interactions energy: -129.437
where: short stacking energy: -57.495
Base-Backbone interact. energy: -0.072
local terms energy: -73.997198
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -158.553758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.553758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.553758 (E_RNA)
where:
Base-Base interactions energy: -89.095
where: short stacking energy: -43.798
Base-Backbone interact. energy: -0.385
local terms energy: -69.073586
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -17.699
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: 274
Temperature: 1.100000
Total energy: -157.573111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.573111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.573111 (E_RNA)
where:
Base-Base interactions energy: -94.548
where: short stacking energy: -46.198
Base-Backbone interact. energy: -0.277
local terms energy: -62.748335
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -93.752969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.752969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.752969 (E_RNA)
where:
Base-Base interactions energy: -38.286
where: short stacking energy: -38.247
Base-Backbone interact. energy: -0.068
local terms energy: -55.398931
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -11.385
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: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -84.153191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.153191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.153191 (E_RNA)
where:
Base-Base interactions energy: -38.713
where: short stacking energy: -21.721
Base-Backbone interact. energy: 0.966
local terms energy: -46.406526
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: 0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -75.790465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.790465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.790465 (E_RNA)
where:
Base-Base interactions energy: -25.749
where: short stacking energy: -25.749
Base-Backbone interact. energy: -0.060
local terms energy: -49.981040
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -77.233208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.233208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.233208 (E_RNA)
where:
Base-Base interactions energy: -29.865
where: short stacking energy: -26.415
Base-Backbone interact. energy: -0.206
local terms energy: -47.162168
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -5.967
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: 274
Temperature: 1.350000
Total energy: -70.495391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.495391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.495391 (E_RNA)
where:
Base-Base interactions energy: -20.308
where: short stacking energy: -20.308
Base-Backbone interact. energy: 0.041
local terms energy: -50.228634
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: 0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -195.837066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.837066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.837066 (E_RNA)
where:
Base-Base interactions energy: -126.353
where: short stacking energy: -64.425
Base-Backbone interact. energy: -0.092
local terms energy: -69.391694
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -15.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -202.057391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.057391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.057391 (E_RNA)
where:
Base-Base interactions energy: -140.725
where: short stacking energy: -59.116
Base-Backbone interact. energy: -0.012
local terms energy: -61.320654
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -18.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -172.278081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.278081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.278081 (E_RNA)
where:
Base-Base interactions energy: -114.856
where: short stacking energy: -55.620
Base-Backbone interact. energy: -0.002
local terms energy: -57.419649
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -15.368
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: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -171.675846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.675846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.675846 (E_RNA)
where:
Base-Base interactions energy: -102.495
where: short stacking energy: -49.458
Base-Backbone interact. energy: -0.002
local terms energy: -69.178823
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -13.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -150.248285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.248285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.248285 (E_RNA)
where:
Base-Base interactions energy: -93.374
where: short stacking energy: -45.956
Base-Backbone interact. energy: -0.620
local terms energy: -56.253979
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -12.960
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: 275
Temperature: 1.150000
Total energy: -95.066612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.066612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.066612 (E_RNA)
where:
Base-Base interactions energy: -39.325
where: short stacking energy: -39.325
Base-Backbone interact. energy: -0.101
local terms energy: -55.640492
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -8.170
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: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -83.448765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.448765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.448765 (E_RNA)
where:
Base-Base interactions energy: -26.593
where: short stacking energy: -26.593
Base-Backbone interact. energy: -0.040
local terms energy: -56.815220
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -9.346
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: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -78.754115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.754115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.754115 (E_RNA)
where:
Base-Base interactions energy: -26.300
where: short stacking energy: -21.217
Base-Backbone interact. energy: -0.883
local terms energy: -51.571191
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: 0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -79.339722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.339722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.339722 (E_RNA)
where:
Base-Base interactions energy: -27.971
where: short stacking energy: -27.971
Base-Backbone interact. energy: -0.862
local terms energy: -50.507524
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -6.109
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: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -71.082092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.082092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.082092 (E_RNA)
where:
Base-Base interactions energy: -23.799
where: short stacking energy: -23.331
Base-Backbone interact. energy: -0.386
local terms energy: -46.896309
where:
bonds (distance) C4'-P energy: -10.532
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -2.464
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: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -205.981912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.981912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.981912 (E_RNA)
where:
Base-Base interactions energy: -132.096
where: short stacking energy: -63.354
Base-Backbone interact. energy: -0.332
local terms energy: -73.553250
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -17.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -194.469799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.469799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.469799 (E_RNA)
where:
Base-Base interactions energy: -126.884
where: short stacking energy: -57.308
Base-Backbone interact. energy: -0.010
local terms energy: -67.575847
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -180.774904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.774904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.774904 (E_RNA)
where:
Base-Base interactions energy: -115.827
where: short stacking energy: -52.360
Base-Backbone interact. energy: -0.102
local terms energy: -64.846602
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -161.251647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.251647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.251647 (E_RNA)
where:
Base-Base interactions energy: -101.640
where: short stacking energy: -44.996
Base-Backbone interact. energy: -0.628
local terms energy: -58.983781
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -13.910
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: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -159.776612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.776612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.776612 (E_RNA)
where:
Base-Base interactions energy: -105.931
where: short stacking energy: -47.091
Base-Backbone interact. energy: -0.394
local terms energy: -53.450856
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -87.262578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.262578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.262578 (E_RNA)
where:
Base-Base interactions energy: -35.886
where: short stacking energy: -35.886
Base-Backbone interact. energy: 1.708
local terms energy: -53.084424
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -7.302
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: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -74.705521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.705521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.705521 (E_RNA)
where:
Base-Base interactions energy: -26.969
where: short stacking energy: -20.002
Base-Backbone interact. energy: -0.028
local terms energy: -47.708060
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -8.969
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: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -79.047827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.047827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.047827 (E_RNA)
where:
Base-Base interactions energy: -24.212
where: short stacking energy: -23.479
Base-Backbone interact. energy: -0.098
local terms energy: -54.737096
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -3.250
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: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -67.880599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.880599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.880599 (E_RNA)
where:
Base-Base interactions energy: -28.438
where: short stacking energy: -25.192
Base-Backbone interact. energy: 0.485
local terms energy: -39.927983
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -7.060
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: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -75.117645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.117645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.117645 (E_RNA)
where:
Base-Base interactions energy: -28.911
where: short stacking energy: -28.911
Base-Backbone interact. energy: 0.400
local terms energy: -46.607054
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -7.798
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: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -187.873011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.873011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.873011 (E_RNA)
where:
Base-Base interactions energy: -120.578
where: short stacking energy: -56.578
Base-Backbone interact. energy: -0.033
local terms energy: -67.262149
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -209.728842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.728842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.728842 (E_RNA)
where:
Base-Base interactions energy: -141.708
where: short stacking energy: -63.813
Base-Backbone interact. energy: -0.053
local terms energy: -67.968182
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -20.373
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: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -180.498465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.498465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.498465 (E_RNA)
where:
Base-Base interactions energy: -107.321
where: short stacking energy: -51.249
Base-Backbone interact. energy: -0.393
local terms energy: -72.784339
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -149.645977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.645977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.645977 (E_RNA)
where:
Base-Base interactions energy: -88.762
where: short stacking energy: -38.738
Base-Backbone interact. energy: -0.348
local terms energy: -60.536110
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -10.390
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: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -146.368839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.368839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.368839 (E_RNA)
where:
Base-Base interactions energy: -89.699
where: short stacking energy: -37.673
Base-Backbone interact. energy: -0.263
local terms energy: -56.406357
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -12.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -102.885883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.885883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.885883 (E_RNA)
where:
Base-Base interactions energy: -43.623
where: short stacking energy: -42.740
Base-Backbone interact. energy: -0.051
local terms energy: -59.211486
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -7.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -77.751781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.751781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.751781 (E_RNA)
where:
Base-Base interactions energy: -43.470
where: short stacking energy: -25.005
Base-Backbone interact. energy: -0.157
local terms energy: -34.124478
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -1.780
tors. eta vs tors. theta energy: 1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -74.914263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.914263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.914263 (E_RNA)
where:
Base-Base interactions energy: -24.306
where: short stacking energy: -22.022
Base-Backbone interact. energy: -0.101
local terms energy: -50.507515
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -10.563
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: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -93.883052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.883052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.883052 (E_RNA)
where:
Base-Base interactions energy: -34.633
where: short stacking energy: -34.633
Base-Backbone interact. energy: -0.003
local terms energy: -59.247091
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -81.040342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.040342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.040342 (E_RNA)
where:
Base-Base interactions energy: -28.340
where: short stacking energy: -27.738
Base-Backbone interact. energy: -0.212
local terms energy: -52.488093
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -5.808
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: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -206.889539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.889539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.889539 (E_RNA)
where:
Base-Base interactions energy: -136.164
where: short stacking energy: -63.516
Base-Backbone interact. energy: -0.576
local terms energy: -70.149886
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -193.873423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.873423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.873423 (E_RNA)
where:
Base-Base interactions energy: -124.108
where: short stacking energy: -61.050
Base-Backbone interact. energy: -0.004
local terms energy: -69.761410
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -171.703679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.703679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.703679 (E_RNA)
where:
Base-Base interactions energy: -107.419
where: short stacking energy: -46.771
Base-Backbone interact. energy: -0.032
local terms energy: -64.252899
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -14.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -154.542120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.542120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.542120 (E_RNA)
where:
Base-Base interactions energy: -89.916
where: short stacking energy: -45.195
Base-Backbone interact. energy: -0.163
local terms energy: -64.463103
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -152.933580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.933580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.933580 (E_RNA)
where:
Base-Base interactions energy: -98.708
where: short stacking energy: -47.486
Base-Backbone interact. energy: -1.044
local terms energy: -53.181048
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -86.954436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.954436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.954436 (E_RNA)
where:
Base-Base interactions energy: -36.980
where: short stacking energy: -25.283
Base-Backbone interact. energy: -0.142
local terms energy: -49.832434
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -1.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -104.275927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.275927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.275927 (E_RNA)
where:
Base-Base interactions energy: -55.335
where: short stacking energy: -34.210
Base-Backbone interact. energy: -0.110
local terms energy: -48.830938
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -4.839
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: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -91.356273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.356273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.356273 (E_RNA)
where:
Base-Base interactions energy: -44.951
where: short stacking energy: -29.253
Base-Backbone interact. energy: 0.516
local terms energy: -46.921459
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -6.366
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: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -77.119625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.119625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.119625 (E_RNA)
where:
Base-Base interactions energy: -29.108
where: short stacking energy: -29.108
Base-Backbone interact. energy: -0.203
local terms energy: -47.808719
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -7.471
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: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -70.460115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.460115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.460115 (E_RNA)
where:
Base-Base interactions energy: -29.650
where: short stacking energy: -21.459
Base-Backbone interact. energy: -0.039
local terms energy: -40.770681
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: 1.251
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: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -210.672505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.672505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.672505 (E_RNA)
where:
Base-Base interactions energy: -131.420
where: short stacking energy: -67.760
Base-Backbone interact. energy: -0.362
local terms energy: -78.890001
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -21.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -194.425566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.425566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.425566 (E_RNA)
where:
Base-Base interactions energy: -122.593
where: short stacking energy: -58.394
Base-Backbone interact. energy: -0.061
local terms energy: -71.772013
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -17.218
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: 279
Temperature: 1.000000
Total energy: -159.581252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.581252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.581252 (E_RNA)
where:
Base-Base interactions energy: -97.166
where: short stacking energy: -43.780
Base-Backbone interact. energy: -0.033
local terms energy: -62.382239
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -148.454597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.454597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.454597 (E_RNA)
where:
Base-Base interactions energy: -89.944
where: short stacking energy: -43.750
Base-Backbone interact. energy: -0.983
local terms energy: -57.526857
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -164.082380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.082380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.082380 (E_RNA)
where:
Base-Base interactions energy: -105.902
where: short stacking energy: -46.332
Base-Backbone interact. energy: -0.288
local terms energy: -57.892483
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -13.795
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: 1
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -98.508404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.508404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.508404 (E_RNA)
where:
Base-Base interactions energy: -59.334
where: short stacking energy: -32.075
Base-Backbone interact. energy: 1.641
local terms energy: -40.815083
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -5.376
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -81.776024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.776024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.776024 (E_RNA)
where:
Base-Base interactions energy: -30.533
where: short stacking energy: -30.533
Base-Backbone interact. energy: -0.199
local terms energy: -51.044192
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -5.092
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: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -83.194364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.194364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.194364 (E_RNA)
where:
Base-Base interactions energy: -33.409
where: short stacking energy: -25.535
Base-Backbone interact. energy: -0.094
local terms energy: -49.690516
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -8.001
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: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -88.439496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.439496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.439496 (E_RNA)
where:
Base-Base interactions energy: -42.279
where: short stacking energy: -16.234
Base-Backbone interact. energy: -0.322
local terms energy: -45.838582
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -7.487
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: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -70.582926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.582926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.582926 (E_RNA)
where:
Base-Base interactions energy: -25.185
where: short stacking energy: -25.185
Base-Backbone interact. energy: -0.100
local terms energy: -45.297252
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -9.138
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: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -205.644511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.644511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.644511 (E_RNA)
where:
Base-Base interactions energy: -134.421
where: short stacking energy: -58.786
Base-Backbone interact. energy: -0.077
local terms energy: -71.145963
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -10.733
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -212.681597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.681597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.681597 (E_RNA)
where:
Base-Base interactions energy: -138.472
where: short stacking energy: -62.710
Base-Backbone interact. energy: -0.000
local terms energy: -74.209384
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -20.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -182.606886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.606886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.606886 (E_RNA)
where:
Base-Base interactions energy: -111.441
where: short stacking energy: -55.454
Base-Backbone interact. energy: -0.003
local terms energy: -71.163506
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -160.523593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.523593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.523593 (E_RNA)
where:
Base-Base interactions energy: -97.671
where: short stacking energy: -43.670
Base-Backbone interact. energy: 0.003
local terms energy: -62.855509
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -161.770904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.770904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.770904 (E_RNA)
where:
Base-Base interactions energy: -103.491
where: short stacking energy: -44.264
Base-Backbone interact. energy: -0.081
local terms energy: -58.199230
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -96.066231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.066231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.066231 (E_RNA)
where:
Base-Base interactions energy: -46.242
where: short stacking energy: -29.676
Base-Backbone interact. energy: 0.655
local terms energy: -50.479456
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -4.243
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: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -88.120625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.120625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.120625 (E_RNA)
where:
Base-Base interactions energy: -32.420
where: short stacking energy: -32.420
Base-Backbone interact. energy: -0.167
local terms energy: -55.533296
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -87.949813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.949813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.949813 (E_RNA)
where:
Base-Base interactions energy: -32.776
where: short stacking energy: -32.776
Base-Backbone interact. energy: -0.105
local terms energy: -55.068682
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -8.323
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: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -82.450650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.450650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.450650 (E_RNA)
where:
Base-Base interactions energy: -41.525
where: short stacking energy: -26.088
Base-Backbone interact. energy: -0.223
local terms energy: -40.702699
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: 0.894
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -76.146388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.146388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.146388 (E_RNA)
where:
Base-Base interactions energy: -26.199
where: short stacking energy: -26.199
Base-Backbone interact. energy: -0.086
local terms energy: -49.861095
where:
bonds (distance) C4'-P energy: -5.162
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -201.777049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.777049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.777049 (E_RNA)
where:
Base-Base interactions energy: -132.140
where: short stacking energy: -66.884
Base-Backbone interact. energy: -0.014
local terms energy: -69.622620
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -197.703778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.703778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.703778 (E_RNA)
where:
Base-Base interactions energy: -128.621
where: short stacking energy: -55.148
Base-Backbone interact. energy: -0.001
local terms energy: -69.081872
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -16.440
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: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -158.233722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.233722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.233722 (E_RNA)
where:
Base-Base interactions energy: -94.655
where: short stacking energy: -54.407
Base-Backbone interact. energy: -0.034
local terms energy: -63.545567
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -12.806
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: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -159.976506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.976506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.976506 (E_RNA)
where:
Base-Base interactions energy: -89.807
where: short stacking energy: -46.714
Base-Backbone interact. energy: -0.000
local terms energy: -70.169362
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -13.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -161.668979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.668979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.668979 (E_RNA)
where:
Base-Base interactions energy: -100.826
where: short stacking energy: -44.222
Base-Backbone interact. energy: -0.224
local terms energy: -60.618884
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -10.285
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: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -84.914970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.914970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.914970 (E_RNA)
where:
Base-Base interactions energy: -34.211
where: short stacking energy: -32.588
Base-Backbone interact. energy: 0.272
local terms energy: -50.975709
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -4.275
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: 281
Temperature: 1.200000
Total energy: -80.141158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.141158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.141158 (E_RNA)
where:
Base-Base interactions energy: -37.150
where: short stacking energy: -33.390
Base-Backbone interact. energy: 0.103
local terms energy: -43.094435
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -84.029381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.029381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.029381 (E_RNA)
where:
Base-Base interactions energy: -31.833
where: short stacking energy: -29.013
Base-Backbone interact. energy: -0.788
local terms energy: -51.408597
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -81.891487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.891487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.891487 (E_RNA)
where:
Base-Base interactions energy: -31.151
where: short stacking energy: -27.240
Base-Backbone interact. energy: -0.048
local terms energy: -50.692281
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -2.662
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: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -69.695596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.695596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.695596 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -25.503
Base-Backbone interact. energy: -0.061
local terms energy: -36.869388
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -7.592
flat angles P-C4'-P energy: -4.515
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: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -207.424509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.424509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.424509 (E_RNA)
where:
Base-Base interactions energy: -143.525
where: short stacking energy: -64.385
Base-Backbone interact. energy: -0.009
local terms energy: -63.890053
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: 0.509
tors. eta vs tors. theta energy: -21.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -214.242013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.242013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.242013 (E_RNA)
where:
Base-Base interactions energy: -145.223
where: short stacking energy: -62.506
Base-Backbone interact. energy: 0.923
local terms energy: -69.941142
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -169.901750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.901750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.901750 (E_RNA)
where:
Base-Base interactions energy: -107.340
where: short stacking energy: -34.680
Base-Backbone interact. energy: 0.345
local terms energy: -62.906391
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -10.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -156.585667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.585667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.585667 (E_RNA)
where:
Base-Base interactions energy: -98.767
where: short stacking energy: -42.423
Base-Backbone interact. energy: -0.007
local terms energy: -57.811561
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -11.674
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: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -156.099786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.099786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.099786 (E_RNA)
where:
Base-Base interactions energy: -95.178
where: short stacking energy: -40.906
Base-Backbone interact. energy: -0.275
local terms energy: -60.646179
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -13.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -93.463996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.463996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.463996 (E_RNA)
where:
Base-Base interactions energy: -35.088
where: short stacking energy: -27.373
Base-Backbone interact. energy: -0.037
local terms energy: -58.338992
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -10.683
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: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -104.308213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.308213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.308213 (E_RNA)
where:
Base-Base interactions energy: -62.040
where: short stacking energy: -33.630
Base-Backbone interact. energy: -0.084
local terms energy: -42.183623
where:
bonds (distance) C4'-P energy: -6.159
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -81.325313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.325313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.325313 (E_RNA)
where:
Base-Base interactions energy: -29.259
where: short stacking energy: -16.063
Base-Backbone interact. energy: -0.374
local terms energy: -51.692546
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: 0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -81.526207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.526207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.526207 (E_RNA)
where:
Base-Base interactions energy: -36.515
where: short stacking energy: -33.510
Base-Backbone interact. energy: -0.008
local terms energy: -45.002958
where:
bonds (distance) C4'-P energy: -8.469
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -7.809
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: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -71.315810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.315810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.315810 (E_RNA)
where:
Base-Base interactions energy: -19.416
where: short stacking energy: -19.416
Base-Backbone interact. energy: -0.106
local terms energy: -51.794104
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -11.194
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: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -210.414885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.414885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.414885 (E_RNA)
where:
Base-Base interactions energy: -139.717
where: short stacking energy: -60.320
Base-Backbone interact. energy: -0.041
local terms energy: -70.657055
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -18.790
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: 283
Temperature: 0.950000
Total energy: -181.326303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.326303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.326303 (E_RNA)
where:
Base-Base interactions energy: -121.910
where: short stacking energy: -40.351
Base-Backbone interact. energy: -0.435
local terms energy: -58.980950
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -8.847
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: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -192.468991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.468991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.468991 (E_RNA)
where:
Base-Base interactions energy: -124.203
where: short stacking energy: -47.764
Base-Backbone interact. energy: -0.208
local terms energy: -68.057631
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -156.770166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.770166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.770166 (E_RNA)
where:
Base-Base interactions energy: -94.894
where: short stacking energy: -46.221
Base-Backbone interact. energy: -0.401
local terms energy: -61.475252
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -9.003
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: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -159.122133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.122133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.122133 (E_RNA)
where:
Base-Base interactions energy: -99.597
where: short stacking energy: -41.390
Base-Backbone interact. energy: -0.148
local terms energy: -59.377298
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -8.378
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: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -94.333762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.333762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.333762 (E_RNA)
where:
Base-Base interactions energy: -38.661
where: short stacking energy: -32.906
Base-Backbone interact. energy: -0.054
local terms energy: -55.618217
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -8.630
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -77.275152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.275152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.275152 (E_RNA)
where:
Base-Base interactions energy: -27.811
where: short stacking energy: -27.811
Base-Backbone interact. energy: 2.670
local terms energy: -52.133831
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -12.195
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: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -80.471118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.471118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.471118 (E_RNA)
where:
Base-Base interactions energy: -35.518
where: short stacking energy: -16.818
Base-Backbone interact. energy: -0.141
local terms energy: -44.812620
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: 1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -79.361213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.361213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.361213 (E_RNA)
where:
Base-Base interactions energy: -33.576
where: short stacking energy: -21.531
Base-Backbone interact. energy: 1.399
local terms energy: -47.184433
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -9.765
flat angles P-C4'-P energy: -6.668
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: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -69.631470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.631470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.631470 (E_RNA)
where:
Base-Base interactions energy: -22.253
where: short stacking energy: -22.028
Base-Backbone interact. energy: -0.353
local terms energy: -47.025244
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -0.535
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: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -212.024939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.024939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.024939 (E_RNA)
where:
Base-Base interactions energy: -140.659
where: short stacking energy: -62.275
Base-Backbone interact. energy: -0.002
local terms energy: -71.364523
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -186.766979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.766979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.766979 (E_RNA)
where:
Base-Base interactions energy: -121.883
where: short stacking energy: -51.862
Base-Backbone interact. energy: -0.823
local terms energy: -64.060668
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -10.306
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: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -204.082550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.082550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.082550 (E_RNA)
where:
Base-Base interactions energy: -127.604
where: short stacking energy: -66.083
Base-Backbone interact. energy: 1.087
local terms energy: -77.565817
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -146.048019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.048019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.048019 (E_RNA)
where:
Base-Base interactions energy: -93.830
where: short stacking energy: -48.286
Base-Backbone interact. energy: -0.016
local terms energy: -52.202048
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -155.384183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.384183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.384183 (E_RNA)
where:
Base-Base interactions energy: -96.465
where: short stacking energy: -46.006
Base-Backbone interact. energy: -0.155
local terms energy: -58.764358
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -10.815
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: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -113.595678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.595678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.595678 (E_RNA)
where:
Base-Base interactions energy: -57.635
where: short stacking energy: -34.732
Base-Backbone interact. energy: -0.203
local terms energy: -55.757665
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -88.718759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.718759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.718759 (E_RNA)
where:
Base-Base interactions energy: -44.634
where: short stacking energy: -30.410
Base-Backbone interact. energy: 0.053
local terms energy: -44.138369
where:
bonds (distance) C4'-P energy: -3.941
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -8.953
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: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -77.710223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.710223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.710223 (E_RNA)
where:
Base-Base interactions energy: -28.189
where: short stacking energy: -20.415
Base-Backbone interact. energy: -0.595
local terms energy: -48.926394
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -85.220678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.220678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.220678 (E_RNA)
where:
Base-Base interactions energy: -39.168
where: short stacking energy: -39.168
Base-Backbone interact. energy: -0.125
local terms energy: -45.927453
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -9.434
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -7.657
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: 10, replica: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -73.853310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.853310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.853310 (E_RNA)
where:
Base-Base interactions energy: -26.353
where: short stacking energy: -26.353
Base-Backbone interact. energy: -0.119
local terms energy: -47.381747
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -203.633404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.633404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.633404 (E_RNA)
where:
Base-Base interactions energy: -134.642
where: short stacking energy: -56.712
Base-Backbone interact. energy: -0.020
local terms energy: -68.970980
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -194.275763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.275763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.275763 (E_RNA)
where:
Base-Base interactions energy: -121.000
where: short stacking energy: -64.686
Base-Backbone interact. energy: -0.040
local terms energy: -73.235870
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -171.100784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.100784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.100784 (E_RNA)
where:
Base-Base interactions energy: -102.662
where: short stacking energy: -48.882
Base-Backbone interact. energy: -0.145
local terms energy: -68.293283
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -16.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -177.967142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.967142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.967142 (E_RNA)
where:
Base-Base interactions energy: -114.613
where: short stacking energy: -47.624
Base-Backbone interact. energy: -0.488
local terms energy: -62.866372
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -13.090
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: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -159.358436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.358436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.358436 (E_RNA)
where:
Base-Base interactions energy: -99.834
where: short stacking energy: -46.377
Base-Backbone interact. energy: -0.920
local terms energy: -58.604736
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -109.211112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.211112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.211112 (E_RNA)
where:
Base-Base interactions energy: -59.288
where: short stacking energy: -33.439
Base-Backbone interact. energy: -0.092
local terms energy: -49.830609
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -2.062
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: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -93.090851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.090851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.090851 (E_RNA)
where:
Base-Base interactions energy: -39.685
where: short stacking energy: -39.685
Base-Backbone interact. energy: -0.023
local terms energy: -53.382232
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -79.370151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.370151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.370151 (E_RNA)
where:
Base-Base interactions energy: -27.622
where: short stacking energy: -27.622
Base-Backbone interact. energy: -0.154
local terms energy: -51.593592
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -90.441152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.441152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.441152 (E_RNA)
where:
Base-Base interactions energy: -33.401
where: short stacking energy: -33.401
Base-Backbone interact. energy: -0.152
local terms energy: -56.887768
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -9.721
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: 10, replica: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -79.019671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.019671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.019671 (E_RNA)
where:
Base-Base interactions energy: -27.455
where: short stacking energy: -22.649
Base-Backbone interact. energy: -0.050
local terms energy: -51.514356
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -0.337
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: 286
Temperature: 0.900000
Total energy: -198.310924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.310924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.310924 (E_RNA)
where:
Base-Base interactions energy: -128.587
where: short stacking energy: -49.918
Base-Backbone interact. energy: -0.131
local terms energy: -69.592487
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -14.780
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: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -203.298271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.298271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.298271 (E_RNA)
where:
Base-Base interactions energy: -133.908
where: short stacking energy: -57.789
Base-Backbone interact. energy: -0.103
local terms energy: -69.287231
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -18.914
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: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -180.593392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.593392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.593392 (E_RNA)
where:
Base-Base interactions energy: -116.552
where: short stacking energy: -44.456
Base-Backbone interact. energy: -0.397
local terms energy: -63.644622
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -156.077175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.077175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.077175 (E_RNA)
where:
Base-Base interactions energy: -96.101
where: short stacking energy: -42.751
Base-Backbone interact. energy: -0.196
local terms energy: -59.780078
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -9.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -169.868452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.868452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.868452 (E_RNA)
where:
Base-Base interactions energy: -108.456
where: short stacking energy: -52.504
Base-Backbone interact. energy: -0.088
local terms energy: -61.324424
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -89.530771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.530771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.530771 (E_RNA)
where:
Base-Base interactions energy: -37.643
where: short stacking energy: -32.858
Base-Backbone interact. energy: -0.171
local terms energy: -51.716181
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -96.309818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.309818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.309818 (E_RNA)
where:
Base-Base interactions energy: -37.848
where: short stacking energy: -37.848
Base-Backbone interact. energy: -0.105
local terms energy: -58.357168
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -9.511
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -9.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -78.859140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.859140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.859140 (E_RNA)
where:
Base-Base interactions energy: -29.541
where: short stacking energy: -29.541
Base-Backbone interact. energy: 1.250
local terms energy: -50.568579
where:
bonds (distance) C4'-P energy: -7.920
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -1.699
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: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -79.910995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.910995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.910995 (E_RNA)
where:
Base-Base interactions energy: -32.130
where: short stacking energy: -25.653
Base-Backbone interact. energy: -0.171
local terms energy: -47.610059
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -3.098
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: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -86.872506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.872506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.872506 (E_RNA)
where:
Base-Base interactions energy: -29.759
where: short stacking energy: -23.950
Base-Backbone interact. energy: -0.033
local terms energy: -57.080114
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -195.594524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.594524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.594524 (E_RNA)
where:
Base-Base interactions energy: -121.301
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.000
local terms energy: -74.293463
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -17.182
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: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -205.734663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.734663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.734663 (E_RNA)
where:
Base-Base interactions energy: -137.643
where: short stacking energy: -64.747
Base-Backbone interact. energy: -0.105
local terms energy: -67.987272
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -184.032048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.032048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.032048 (E_RNA)
where:
Base-Base interactions energy: -112.572
where: short stacking energy: -57.587
Base-Backbone interact. energy: -0.001
local terms energy: -71.459202
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -170.206492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.206492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.206492 (E_RNA)
where:
Base-Base interactions energy: -103.431
where: short stacking energy: -44.902
Base-Backbone interact. energy: -0.128
local terms energy: -66.647985
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -12.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -162.700321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.700321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.700321 (E_RNA)
where:
Base-Base interactions energy: -101.610
where: short stacking energy: -43.134
Base-Backbone interact. energy: 0.436
local terms energy: -61.526854
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -12.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -99.569413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.569413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.569413 (E_RNA)
where:
Base-Base interactions energy: -38.681
where: short stacking energy: -38.681
Base-Backbone interact. energy: -0.046
local terms energy: -60.842736
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -12.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -85.222917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.222917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.222917 (E_RNA)
where:
Base-Base interactions energy: -29.711
where: short stacking energy: -29.711
Base-Backbone interact. energy: -0.187
local terms energy: -55.325091
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -83.658345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.658345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.658345 (E_RNA)
where:
Base-Base interactions energy: -30.380
where: short stacking energy: -27.258
Base-Backbone interact. energy: -0.729
local terms energy: -52.549304
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -4.740
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: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -85.936070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936070 (E_RNA)
where:
Base-Base interactions energy: -34.502
where: short stacking energy: -34.502
Base-Backbone interact. energy: -0.197
local terms energy: -51.237116
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -9.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -76.163250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.163250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.163250 (E_RNA)
where:
Base-Base interactions energy: -24.913
where: short stacking energy: -24.913
Base-Backbone interact. energy: 0.428
local terms energy: -51.678004
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -10.625
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: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -211.695640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.695640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.695640 (E_RNA)
where:
Base-Base interactions energy: -136.701
where: short stacking energy: -67.102
Base-Backbone interact. energy: -0.039
local terms energy: -74.955330
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -18.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -198.598962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.598962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.598962 (E_RNA)
where:
Base-Base interactions energy: -132.884
where: short stacking energy: -56.449
Base-Backbone interact. energy: -0.060
local terms energy: -65.655056
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -151.646682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.646682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.646682 (E_RNA)
where:
Base-Base interactions energy: -90.416
where: short stacking energy: -40.694
Base-Backbone interact. energy: 0.182
local terms energy: -61.412404
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -187.598045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.598045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.598045 (E_RNA)
where:
Base-Base interactions energy: -124.587
where: short stacking energy: -53.977
Base-Backbone interact. energy: -0.103
local terms energy: -62.908001
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -143.589377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.589377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.589377 (E_RNA)
where:
Base-Base interactions energy: -92.933
where: short stacking energy: -45.625
Base-Backbone interact. energy: -0.241
local terms energy: -50.415220
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -99.643398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.643398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.643398 (E_RNA)
where:
Base-Base interactions energy: -42.855
where: short stacking energy: -23.608
Base-Backbone interact. energy: -0.071
local terms energy: -56.717929
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -93.012157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.012157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.012157 (E_RNA)
where:
Base-Base interactions energy: -35.978
where: short stacking energy: -36.170
Base-Backbone interact. energy: -0.037
local terms energy: -56.997296
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -8.169
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: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -91.062561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.062561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.062561 (E_RNA)
where:
Base-Base interactions energy: -38.371
where: short stacking energy: -18.844
Base-Backbone interact. energy: -0.138
local terms energy: -52.553470
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -80.956709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.956709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.956709 (E_RNA)
where:
Base-Base interactions energy: -29.715
where: short stacking energy: -29.402
Base-Backbone interact. energy: 0.835
local terms energy: -52.076748
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -7.563
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: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -69.138106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.138106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.138106 (E_RNA)
where:
Base-Base interactions energy: -28.587
where: short stacking energy: -20.893
Base-Backbone interact. energy: -0.102
local terms energy: -40.448648
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: 0.386
tors. eta vs tors. theta energy: -0.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -209.172031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.172031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.172031 (E_RNA)
where:
Base-Base interactions energy: -136.386
where: short stacking energy: -61.180
Base-Backbone interact. energy: -0.001
local terms energy: -72.785027
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -20.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -206.014499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.014499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.014499 (E_RNA)
where:
Base-Base interactions energy: -132.752
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.620
local terms energy: -72.642164
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -160.262261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.262261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.262261 (E_RNA)
where:
Base-Base interactions energy: -97.443
where: short stacking energy: -49.035
Base-Backbone interact. energy: -0.160
local terms energy: -62.659290
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -9.162
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: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -186.283782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.283782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.283782 (E_RNA)
where:
Base-Base interactions energy: -123.859
where: short stacking energy: -58.556
Base-Backbone interact. energy: -0.090
local terms energy: -62.334826
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -152.726157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.726157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.726157 (E_RNA)
where:
Base-Base interactions energy: -92.650
where: short stacking energy: -52.346
Base-Backbone interact. energy: -0.072
local terms energy: -60.004529
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -96.513202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.513202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.513202 (E_RNA)
where:
Base-Base interactions energy: -44.290
where: short stacking energy: -30.353
Base-Backbone interact. energy: 0.168
local terms energy: -52.391270
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -88.695362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.695362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.695362 (E_RNA)
where:
Base-Base interactions energy: -38.506
where: short stacking energy: -38.506
Base-Backbone interact. energy: -0.029
local terms energy: -50.160989
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -8.027
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: 8, replica: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -93.354666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.354666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.354666 (E_RNA)
where:
Base-Base interactions energy: -39.513
where: short stacking energy: -26.922
Base-Backbone interact. energy: 0.075
local terms energy: -53.916834
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -68.333695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.333695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.333695 (E_RNA)
where:
Base-Base interactions energy: -17.992
where: short stacking energy: -17.780
Base-Backbone interact. energy: -0.057
local terms energy: -50.285046
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -10.099
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: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -68.287351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.287351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.287351 (E_RNA)
where:
Base-Base interactions energy: -25.010
where: short stacking energy: -21.407
Base-Backbone interact. energy: -0.253
local terms energy: -43.024625
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: 0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -205.064265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.064265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.064265 (E_RNA)
where:
Base-Base interactions energy: -132.631
where: short stacking energy: -68.145
Base-Backbone interact. energy: -0.087
local terms energy: -72.345452
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -204.891165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.891165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.891165 (E_RNA)
where:
Base-Base interactions energy: -133.111
where: short stacking energy: -63.971
Base-Backbone interact. energy: 0.843
local terms energy: -72.623924
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -17.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -165.819436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.819436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.819436 (E_RNA)
where:
Base-Base interactions energy: -106.534
where: short stacking energy: -49.229
Base-Backbone interact. energy: -0.794
local terms energy: -58.491060
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -9.017
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: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -168.593552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.593552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.593552 (E_RNA)
where:
Base-Base interactions energy: -99.967
where: short stacking energy: -59.119
Base-Backbone interact. energy: -0.110
local terms energy: -68.516210
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -141.135267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.135267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.135267 (E_RNA)
where:
Base-Base interactions energy: -79.750
where: short stacking energy: -47.179
Base-Backbone interact. energy: -0.008
local terms energy: -61.376714
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -7.033
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: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -84.828062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.828062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.828062 (E_RNA)
where:
Base-Base interactions energy: -32.725
where: short stacking energy: -29.970
Base-Backbone interact. energy: -0.074
local terms energy: -52.029369
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -0.842
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -82.418066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.418066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.418066 (E_RNA)
where:
Base-Base interactions energy: -33.099
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.129
local terms energy: -49.189552
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -11.665
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: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -75.048089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.048089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.048089 (E_RNA)
where:
Base-Base interactions energy: -33.808
where: short stacking energy: -27.178
Base-Backbone interact. energy: 0.342
local terms energy: -41.581796
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -8.036
flat angles P-C4'-P energy: -7.766
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: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -82.958928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.958928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.958928 (E_RNA)
where:
Base-Base interactions energy: -34.688
where: short stacking energy: -30.655
Base-Backbone interact. energy: -0.266
local terms energy: -48.004825
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -78.847715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.847715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.847715 (E_RNA)
where:
Base-Base interactions energy: -33.177
where: short stacking energy: -33.177
Base-Backbone interact. energy: -0.099
local terms energy: -45.572086
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -2.905
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: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -213.476337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.476337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.476337 (E_RNA)
where:
Base-Base interactions energy: -144.519
where: short stacking energy: -59.919
Base-Backbone interact. energy: -0.022
local terms energy: -68.935126
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -206.017272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.017272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.017272 (E_RNA)
where:
Base-Base interactions energy: -140.992
where: short stacking energy: -66.888
Base-Backbone interact. energy: -0.103
local terms energy: -64.922120
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -165.770271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.770271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.770271 (E_RNA)
where:
Base-Base interactions energy: -95.904
where: short stacking energy: -51.199
Base-Backbone interact. energy: -0.161
local terms energy: -69.705306
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -13.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -150.462096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.462096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.462096 (E_RNA)
where:
Base-Base interactions energy: -85.437
where: short stacking energy: -52.213
Base-Backbone interact. energy: -0.102
local terms energy: -64.922822
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -15.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -162.652002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.652002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.652002 (E_RNA)
where:
Base-Base interactions energy: -103.603
where: short stacking energy: -41.909
Base-Backbone interact. energy: 0.432
local terms energy: -59.481113
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -12.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -95.891458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.891458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.891458 (E_RNA)
where:
Base-Base interactions energy: -41.837
where: short stacking energy: -28.681
Base-Backbone interact. energy: 0.018
local terms energy: -54.072383
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -2.736
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: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -82.613249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.613249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.613249 (E_RNA)
where:
Base-Base interactions energy: -24.559
where: short stacking energy: -24.559
Base-Backbone interact. energy: -0.084
local terms energy: -57.969901
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -72.992816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.992816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.992816 (E_RNA)
where:
Base-Base interactions energy: -28.760
where: short stacking energy: -16.112
Base-Backbone interact. energy: -1.289
local terms energy: -42.943984
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: 1.699
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: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -75.142107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.142107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.142107 (E_RNA)
where:
Base-Base interactions energy: -34.462
where: short stacking energy: -29.306
Base-Backbone interact. energy: -0.203
local terms energy: -40.476906
where:
bonds (distance) C4'-P energy: -6.933
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -5.245
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: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -75.520121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.520121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.520121 (E_RNA)
where:
Base-Base interactions energy: -40.062
where: short stacking energy: -23.455
Base-Backbone interact. energy: 0.589
local terms energy: -36.047126
where:
bonds (distance) C4'-P energy: -3.737
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -1.531
tors. eta vs tors. theta energy: -6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -212.808337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.808337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.808337 (E_RNA)
where:
Base-Base interactions energy: -137.571
where: short stacking energy: -55.503
Base-Backbone interact. energy: -0.126
local terms energy: -75.111438
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -202.302894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.302894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.302894 (E_RNA)
where:
Base-Base interactions energy: -136.291
where: short stacking energy: -60.738
Base-Backbone interact. energy: -0.033
local terms energy: -65.978949
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -156.012543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.012543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.012543 (E_RNA)
where:
Base-Base interactions energy: -87.574
where: short stacking energy: -52.503
Base-Backbone interact. energy: -0.585
local terms energy: -67.853750
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -14.429
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: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -156.870528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.870528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.870528 (E_RNA)
where:
Base-Base interactions energy: -95.915
where: short stacking energy: -49.429
Base-Backbone interact. energy: -0.259
local terms energy: -60.696029
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -155.120339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.120339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.120339 (E_RNA)
where:
Base-Base interactions energy: -93.540
where: short stacking energy: -42.710
Base-Backbone interact. energy: -0.332
local terms energy: -61.248392
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -93.760460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.760460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.760460 (E_RNA)
where:
Base-Base interactions energy: -38.672
where: short stacking energy: -35.473
Base-Backbone interact. energy: -0.094
local terms energy: -54.994291
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -7.703
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: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -88.750818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.750818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.750818 (E_RNA)
where:
Base-Base interactions energy: -35.396
where: short stacking energy: -35.396
Base-Backbone interact. energy: -0.125
local terms energy: -53.230439
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -95.111079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.111079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.111079 (E_RNA)
where:
Base-Base interactions energy: -30.256
where: short stacking energy: -26.947
Base-Backbone interact. energy: 0.518
local terms energy: -65.372927
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -13.495
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: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -77.222785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.222785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.222785 (E_RNA)
where:
Base-Base interactions energy: -26.162
where: short stacking energy: -14.248
Base-Backbone interact. energy: -0.259
local terms energy: -50.801534
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -7.451
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: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -70.249206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.249206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.249206 (E_RNA)
where:
Base-Base interactions energy: -18.592
where: short stacking energy: -16.883
Base-Backbone interact. energy: -0.135
local terms energy: -51.522988
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -5.797
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: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -210.457525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.457525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.457525 (E_RNA)
where:
Base-Base interactions energy: -135.495
where: short stacking energy: -59.527
Base-Backbone interact. energy: -0.090
local terms energy: -74.872419
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -166.558388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.558388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.558388 (E_RNA)
where:
Base-Base interactions energy: -113.107
where: short stacking energy: -51.834
Base-Backbone interact. energy: -0.634
local terms energy: -52.817132
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -10.206
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -13.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -211.159519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.159519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.159519 (E_RNA)
where:
Base-Base interactions energy: -137.172
where: short stacking energy: -61.227
Base-Backbone interact. energy: -0.101
local terms energy: -73.886587
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -164.257354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.257354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.257354 (E_RNA)
where:
Base-Base interactions energy: -97.559
where: short stacking energy: -41.932
Base-Backbone interact. energy: -0.591
local terms energy: -66.107103
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -14.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -158.403794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.403794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.403794 (E_RNA)
where:
Base-Base interactions energy: -104.431
where: short stacking energy: -41.151
Base-Backbone interact. energy: -0.101
local terms energy: -53.871809
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -11.403
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: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -94.708709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.708709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.708709 (E_RNA)
where:
Base-Base interactions energy: -38.853
where: short stacking energy: -32.222
Base-Backbone interact. energy: -0.023
local terms energy: -55.832445
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -8.420
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: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -83.552933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.552933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.552933 (E_RNA)
where:
Base-Base interactions energy: -30.527
where: short stacking energy: -29.933
Base-Backbone interact. energy: -0.075
local terms energy: -52.950947
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -8.086
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: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -105.684359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.684359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.684359 (E_RNA)
where:
Base-Base interactions energy: -51.818
where: short stacking energy: -28.171
Base-Backbone interact. energy: -0.526
local terms energy: -53.340963
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -8.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -78.464227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.464227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.464227 (E_RNA)
where:
Base-Base interactions energy: -35.198
where: short stacking energy: -29.216
Base-Backbone interact. energy: -0.232
local terms energy: -43.033747
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -8.575
flat angles P-C4'-P energy: -6.217
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: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -78.671913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.671913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.671913 (E_RNA)
where:
Base-Base interactions energy: -28.677
where: short stacking energy: -29.658
Base-Backbone interact. energy: 0.119
local terms energy: -50.113101
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -2.461
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: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -214.877410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.877410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.877410 (E_RNA)
where:
Base-Base interactions energy: -144.362
where: short stacking energy: -68.449
Base-Backbone interact. energy: -0.000
local terms energy: -70.515465
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -165.589139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.589139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.589139 (E_RNA)
where:
Base-Base interactions energy: -103.488
where: short stacking energy: -45.000
Base-Backbone interact. energy: -0.082
local terms energy: -62.019397
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -11.280
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: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -211.062891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.062891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.062891 (E_RNA)
where:
Base-Base interactions energy: -133.819
where: short stacking energy: -65.346
Base-Backbone interact. energy: -0.051
local terms energy: -77.193056
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -21.700
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: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -175.819684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.819684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.819684 (E_RNA)
where:
Base-Base interactions energy: -113.050
where: short stacking energy: -44.560
Base-Backbone interact. energy: -0.349
local terms energy: -62.420723
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -10.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -183.656274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.656274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.656274 (E_RNA)
where:
Base-Base interactions energy: -109.924
where: short stacking energy: -57.373
Base-Backbone interact. energy: -0.801
local terms energy: -72.930896
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -15.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -98.777628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.777628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.777628 (E_RNA)
where:
Base-Base interactions energy: -39.658
where: short stacking energy: -26.757
Base-Backbone interact. energy: 0.338
local terms energy: -59.458035
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -9.845
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: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -86.707340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.707340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.707340 (E_RNA)
where:
Base-Base interactions energy: -36.349
where: short stacking energy: -30.763
Base-Backbone interact. energy: -1.164
local terms energy: -49.194709
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -85.287404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.287404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.287404 (E_RNA)
where:
Base-Base interactions energy: -37.744
where: short stacking energy: -37.744
Base-Backbone interact. energy: -0.188
local terms energy: -47.355260
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -8.206
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: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -79.744468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.744468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.744468 (E_RNA)
where:
Base-Base interactions energy: -32.708
where: short stacking energy: -32.708
Base-Backbone interact. energy: -0.017
local terms energy: -47.019010
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -8.771
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -81.850519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.850519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.850519 (E_RNA)
where:
Base-Base interactions energy: -32.771
where: short stacking energy: -27.480
Base-Backbone interact. energy: -0.236
local terms energy: -48.843107
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -8.471
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: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -215.568716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.568716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.568716 (E_RNA)
where:
Base-Base interactions energy: -138.866
where: short stacking energy: -61.055
Base-Backbone interact. energy: -0.001
local terms energy: -76.701485
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -202.469789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.469789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.469789 (E_RNA)
where:
Base-Base interactions energy: -135.154
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.006
local terms energy: -67.310272
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -18.110
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: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -160.179907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.179907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.179907 (E_RNA)
where:
Base-Base interactions energy: -89.052
where: short stacking energy: -55.680
Base-Backbone interact. energy: -0.010
local terms energy: -71.117604
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -155.779089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.779089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.779089 (E_RNA)
where:
Base-Base interactions energy: -92.449
where: short stacking energy: -46.500
Base-Backbone interact. energy: 0.710
local terms energy: -64.040126
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -10.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -166.608863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.608863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.608863 (E_RNA)
where:
Base-Base interactions energy: -103.804
where: short stacking energy: -39.272
Base-Backbone interact. energy: -0.173
local terms energy: -62.632026
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -14.155
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: 295
Temperature: 1.150000
Total energy: -101.379543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.379543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.379543 (E_RNA)
where:
Base-Base interactions energy: -45.099
where: short stacking energy: -37.995
Base-Backbone interact. energy: -0.530
local terms energy: -55.750691
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -8.128
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: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -80.224608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.224608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.224608 (E_RNA)
where:
Base-Base interactions energy: -25.718
where: short stacking energy: -25.718
Base-Backbone interact. energy: -0.017
local terms energy: -54.489982
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -8.229
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: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -96.721619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.721619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.721619 (E_RNA)
where:
Base-Base interactions energy: -39.973
where: short stacking energy: -30.165
Base-Backbone interact. energy: -0.274
local terms energy: -56.474493
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -11.327
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: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -79.627061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.627061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.627061 (E_RNA)
where:
Base-Base interactions energy: -32.755
where: short stacking energy: -23.680
Base-Backbone interact. energy: -0.185
local terms energy: -46.687329
where:
bonds (distance) C4'-P energy: -8.402
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -1.334
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: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -72.986629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.986629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.986629 (E_RNA)
where:
Base-Base interactions energy: -27.575
where: short stacking energy: -22.622
Base-Backbone interact. energy: -0.202
local terms energy: -45.209807
where:
bonds (distance) C4'-P energy: -4.679
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -206.953130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.953130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.953130 (E_RNA)
where:
Base-Base interactions energy: -136.049
where: short stacking energy: -56.380
Base-Backbone interact. energy: -0.009
local terms energy: -70.894906
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -4.084
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -203.929531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.929531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.929531 (E_RNA)
where:
Base-Base interactions energy: -140.734
where: short stacking energy: -65.635
Base-Backbone interact. energy: -0.013
local terms energy: -63.182563
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -167.951214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.951214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.951214 (E_RNA)
where:
Base-Base interactions energy: -98.138
where: short stacking energy: -48.965
Base-Backbone interact. energy: -1.067
local terms energy: -68.746039
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -171.068088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.068088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.068088 (E_RNA)
where:
Base-Base interactions energy: -108.499
where: short stacking energy: -47.852
Base-Backbone interact. energy: -0.300
local terms energy: -62.269631
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -170.479430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.479430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.479430 (E_RNA)
where:
Base-Base interactions energy: -105.914
where: short stacking energy: -47.506
Base-Backbone interact. energy: -0.041
local terms energy: -64.524693
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -11.871
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: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -100.190508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.190508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.190508 (E_RNA)
where:
Base-Base interactions energy: -37.575
where: short stacking energy: -37.575
Base-Backbone interact. energy: -0.110
local terms energy: -62.505296
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -11.677
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: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -95.977752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.977752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.977752 (E_RNA)
where:
Base-Base interactions energy: -36.798
where: short stacking energy: -36.798
Base-Backbone interact. energy: -0.002
local terms energy: -59.178300
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -12.913
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: 296
Temperature: 1.250000
Total energy: -77.650530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.650530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.650530 (E_RNA)
where:
Base-Base interactions energy: -31.778
where: short stacking energy: -20.359
Base-Backbone interact. energy: -0.245
local terms energy: -45.627383
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -7.560
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: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -80.699388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.699388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.699388 (E_RNA)
where:
Base-Base interactions energy: -27.071
where: short stacking energy: -24.813
Base-Backbone interact. energy: 2.255
local terms energy: -55.883350
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -8.925
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: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -107.861668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.861668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.861668 (E_RNA)
where:
Base-Base interactions energy: -58.188
where: short stacking energy: -31.242
Base-Backbone interact. energy: 1.096
local terms energy: -50.770076
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -8.600
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -5.639
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: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -204.684349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.684349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.684349 (E_RNA)
where:
Base-Base interactions energy: -137.188
where: short stacking energy: -64.500
Base-Backbone interact. energy: 0.555
local terms energy: -68.051478
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -17.445
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: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -201.152092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.152092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.152092 (E_RNA)
where:
Base-Base interactions energy: -134.059
where: short stacking energy: -61.456
Base-Backbone interact. energy: -0.125
local terms energy: -66.967971
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -157.482474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.482474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.482474 (E_RNA)
where:
Base-Base interactions energy: -89.566
where: short stacking energy: -52.459
Base-Backbone interact. energy: -0.016
local terms energy: -67.900425
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -192.016649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.016649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.016649 (E_RNA)
where:
Base-Base interactions energy: -124.055
where: short stacking energy: -47.672
Base-Backbone interact. energy: -0.959
local terms energy: -67.002136
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -158.940138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.940138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.940138 (E_RNA)
where:
Base-Base interactions energy: -99.711
where: short stacking energy: -39.515
Base-Backbone interact. energy: 0.037
local terms energy: -59.265733
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -8.545
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -11.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -88.387466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.387466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.387466 (E_RNA)
where:
Base-Base interactions energy: -33.820
where: short stacking energy: -33.685
Base-Backbone interact. energy: -0.065
local terms energy: -54.501776
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -10.703
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: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -101.228816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.228816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.228816 (E_RNA)
where:
Base-Base interactions energy: -49.860
where: short stacking energy: -35.422
Base-Backbone interact. energy: 0.690
local terms energy: -52.059289
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -7.497
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: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -89.294881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.294881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.294881 (E_RNA)
where:
Base-Base interactions energy: -37.188
where: short stacking energy: -34.624
Base-Backbone interact. energy: -0.328
local terms energy: -51.778799
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -82.336900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.336900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.336900 (E_RNA)
where:
Base-Base interactions energy: -32.426
where: short stacking energy: -28.632
Base-Backbone interact. energy: -0.134
local terms energy: -49.776585
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -70.297039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.297039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.297039 (E_RNA)
where:
Base-Base interactions energy: -30.707
where: short stacking energy: -16.371
Base-Backbone interact. energy: 2.059
local terms energy: -41.649847
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: 0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -206.785687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.785687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.785687 (E_RNA)
where:
Base-Base interactions energy: -145.489
where: short stacking energy: -51.977
Base-Backbone interact. energy: -0.017
local terms energy: -61.280204
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -191.577746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.577746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.577746 (E_RNA)
where:
Base-Base interactions energy: -126.819
where: short stacking energy: -61.786
Base-Backbone interact. energy: -0.031
local terms energy: -64.727757
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -16.592
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: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -186.177643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.177643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.177643 (E_RNA)
where:
Base-Base interactions energy: -118.126
where: short stacking energy: -55.186
Base-Backbone interact. energy: -0.707
local terms energy: -67.344767
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -156.586649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.586649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.586649 (E_RNA)
where:
Base-Base interactions energy: -88.102
where: short stacking energy: -51.839
Base-Backbone interact. energy: 1.507
local terms energy: -69.990997
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -167.207578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.207578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.207578 (E_RNA)
where:
Base-Base interactions energy: -109.990
where: short stacking energy: -48.075
Base-Backbone interact. energy: -0.395
local terms energy: -56.822129
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -7.793
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -11.710
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: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -112.403770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.403770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.403770 (E_RNA)
where:
Base-Base interactions energy: -46.181
where: short stacking energy: -39.509
Base-Backbone interact. energy: -0.064
local terms energy: -66.158793
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -95.735722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.735722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.735722 (E_RNA)
where:
Base-Base interactions energy: -47.263
where: short stacking energy: -42.263
Base-Backbone interact. energy: -0.234
local terms energy: -48.238470
where:
bonds (distance) C4'-P energy: -7.417
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -10.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -77.707617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.707617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.707617 (E_RNA)
where:
Base-Base interactions energy: -25.886
where: short stacking energy: -25.886
Base-Backbone interact. energy: -0.230
local terms energy: -51.591175
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -73.748531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.748531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.748531 (E_RNA)
where:
Base-Base interactions energy: -18.718
where: short stacking energy: -18.432
Base-Backbone interact. energy: 0.584
local terms energy: -55.615019
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -75.117159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.117159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.117159 (E_RNA)
where:
Base-Base interactions energy: -31.364
where: short stacking energy: -27.477
Base-Backbone interact. energy: -0.393
local terms energy: -43.359894
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -7.160
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: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -200.060324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.060324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.060324 (E_RNA)
where:
Base-Base interactions energy: -138.779
where: short stacking energy: -53.895
Base-Backbone interact. energy: 1.181
local terms energy: -62.462581
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -194.365322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.365322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.365322 (E_RNA)
where:
Base-Base interactions energy: -123.839
where: short stacking energy: -46.816
Base-Backbone interact. energy: -0.009
local terms energy: -70.517327
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -180.618133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.618133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.618133 (E_RNA)
where:
Base-Base interactions energy: -119.481
where: short stacking energy: -50.228
Base-Backbone interact. energy: -0.435
local terms energy: -60.701587
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -165.270375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.270375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.270375 (E_RNA)
where:
Base-Base interactions energy: -96.240
where: short stacking energy: -42.684
Base-Backbone interact. energy: -0.032
local terms energy: -68.998891
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -138.180746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.180746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.180746 (E_RNA)
where:
Base-Base interactions energy: -80.684
where: short stacking energy: -44.928
Base-Backbone interact. energy: -0.041
local terms energy: -57.455782
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -8.757
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: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -98.169320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.169320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.169320 (E_RNA)
where:
Base-Base interactions energy: -53.699
where: short stacking energy: -35.197
Base-Backbone interact. energy: -0.082
local terms energy: -44.388169
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -9.024
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -3.338
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: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -89.474899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.474899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.474899 (E_RNA)
where:
Base-Base interactions energy: -27.732
where: short stacking energy: -25.965
Base-Backbone interact. energy: -0.063
local terms energy: -61.679969
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -5.466
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: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -82.245554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.245554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.245554 (E_RNA)
where:
Base-Base interactions energy: -34.050
where: short stacking energy: -35.616
Base-Backbone interact. energy: -0.341
local terms energy: -47.854813
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: 0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -79.593843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.593843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.593843 (E_RNA)
where:
Base-Base interactions energy: -36.620
where: short stacking energy: -25.257
Base-Backbone interact. energy: -0.205
local terms energy: -42.768355
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -1.831
tors. eta vs tors. theta energy: -2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -81.414702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.414702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.414702 (E_RNA)
where:
Base-Base interactions energy: -30.866
where: short stacking energy: -22.666
Base-Backbone interact. energy: -0.118
local terms energy: -50.430207
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -206.128081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.128081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.128081 (E_RNA)
where:
Base-Base interactions energy: -136.184
where: short stacking energy: -56.894
Base-Backbone interact. energy: -0.308
local terms energy: -69.636691
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -193.038593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.038593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.038593 (E_RNA)
where:
Base-Base interactions energy: -123.679
where: short stacking energy: -55.079
Base-Backbone interact. energy: 1.256
local terms energy: -70.615775
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -178.808530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.808530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.808530 (E_RNA)
where:
Base-Base interactions energy: -124.674
where: short stacking energy: -53.987
Base-Backbone interact. energy: -0.098
local terms energy: -54.036018
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -9.342
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: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -165.333806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.333806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.333806 (E_RNA)
where:
Base-Base interactions energy: -104.279
where: short stacking energy: -41.484
Base-Backbone interact. energy: 2.392
local terms energy: -63.446302
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -146.382462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.382462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.382462 (E_RNA)
where:
Base-Base interactions energy: -82.175
where: short stacking energy: -50.915
Base-Backbone interact. energy: -0.598
local terms energy: -63.609059
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -108.989298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.989298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.989298 (E_RNA)
where:
Base-Base interactions energy: -63.387
where: short stacking energy: -31.341
Base-Backbone interact. energy: 0.932
local terms energy: -46.534382
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -8.342
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -83.833153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.833153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.833153 (E_RNA)
where:
Base-Base interactions energy: -37.124
where: short stacking energy: -21.634
Base-Backbone interact. energy: -0.090
local terms energy: -46.619150
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -89.179726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.179726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.179726 (E_RNA)
where:
Base-Base interactions energy: -36.279
where: short stacking energy: -30.923
Base-Backbone interact. energy: -0.067
local terms energy: -52.834298
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -80.809209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.809209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.809209 (E_RNA)
where:
Base-Base interactions energy: -36.354
where: short stacking energy: -36.354
Base-Backbone interact. energy: -0.332
local terms energy: -44.123658
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -7.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -74.493285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.493285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.493285 (E_RNA)
where:
Base-Base interactions energy: -26.458
where: short stacking energy: -18.101
Base-Backbone interact. energy: -0.158
local terms energy: -47.877116
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -213.019986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.019986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.019986 (E_RNA)
where:
Base-Base interactions energy: -134.432
where: short stacking energy: -60.232
Base-Backbone interact. energy: -0.517
local terms energy: -78.070945
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -21.669
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: 301
Temperature: 0.950000
Total energy: -189.061741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.061741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.061741 (E_RNA)
where:
Base-Base interactions energy: -119.097
where: short stacking energy: -58.612
Base-Backbone interact. energy: -0.629
local terms energy: -69.335876
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -201.213625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.213625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.213625 (E_RNA)
where:
Base-Base interactions energy: -135.107
where: short stacking energy: -58.966
Base-Backbone interact. energy: -0.016
local terms energy: -66.090975
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -166.679344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.679344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.679344 (E_RNA)
where:
Base-Base interactions energy: -104.634
where: short stacking energy: -47.052
Base-Backbone interact. energy: -0.095
local terms energy: -61.950389
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -16.216
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: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -151.625076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.625076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.625076 (E_RNA)
where:
Base-Base interactions energy: -87.962
where: short stacking energy: -47.518
Base-Backbone interact. energy: -2.029
local terms energy: -61.634162
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -9.985
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: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -94.712531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.712531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.712531 (E_RNA)
where:
Base-Base interactions energy: -40.938
where: short stacking energy: -40.938
Base-Backbone interact. energy: -0.004
local terms energy: -53.770654
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -93.771503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.771503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.771503 (E_RNA)
where:
Base-Base interactions energy: -34.810
where: short stacking energy: -34.810
Base-Backbone interact. energy: -0.194
local terms energy: -58.767759
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -79.143758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.143758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.143758 (E_RNA)
where:
Base-Base interactions energy: -27.084
where: short stacking energy: -27.084
Base-Backbone interact. energy: -0.036
local terms energy: -52.023577
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -82.521285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.521285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.521285 (E_RNA)
where:
Base-Base interactions energy: -32.990
where: short stacking energy: -32.990
Base-Backbone interact. energy: -0.117
local terms energy: -49.414868
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -4.984
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -86.386670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.386670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.386670 (E_RNA)
where:
Base-Base interactions energy: -32.663
where: short stacking energy: -28.427
Base-Backbone interact. energy: -0.519
local terms energy: -53.204755
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -8.660
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: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -207.418676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.418676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.418676 (E_RNA)
where:
Base-Base interactions energy: -133.415
where: short stacking energy: -63.342
Base-Backbone interact. energy: -0.000
local terms energy: -74.002832
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -19.560
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: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -181.884684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.884684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.884684 (E_RNA)
where:
Base-Base interactions energy: -116.590
where: short stacking energy: -55.963
Base-Backbone interact. energy: -0.003
local terms energy: -65.291695
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -8.477
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -201.138657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.138657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.138657 (E_RNA)
where:
Base-Base interactions energy: -136.291
where: short stacking energy: -65.949
Base-Backbone interact. energy: -0.061
local terms energy: -64.786494
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -2.518
tors. eta vs tors. theta energy: -21.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -158.336193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.336193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.336193 (E_RNA)
where:
Base-Base interactions energy: -92.142
where: short stacking energy: -48.483
Base-Backbone interact. energy: -0.181
local terms energy: -66.012316
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -12.688
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: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -151.427627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.427627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.427627 (E_RNA)
where:
Base-Base interactions energy: -90.616
where: short stacking energy: -44.063
Base-Backbone interact. energy: -0.688
local terms energy: -60.123615
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -10.030
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: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -91.180273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.180273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.180273 (E_RNA)
where:
Base-Base interactions energy: -34.939
where: short stacking energy: -13.895
Base-Backbone interact. energy: -0.317
local terms energy: -55.925129
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -8.114
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: 7, replica: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -81.452107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.452107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.452107 (E_RNA)
where:
Base-Base interactions energy: -22.877
where: short stacking energy: -20.853
Base-Backbone interact. energy: -0.159
local terms energy: -58.416139
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -7.064
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: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -77.819762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.819762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.819762 (E_RNA)
where:
Base-Base interactions energy: -29.959
where: short stacking energy: -29.959
Base-Backbone interact. energy: 0.793
local terms energy: -48.653545
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -1.247
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: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -81.163617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.163617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.163617 (E_RNA)
where:
Base-Base interactions energy: -30.096
where: short stacking energy: -28.398
Base-Backbone interact. energy: -0.327
local terms energy: -50.740016
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -72.074355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.074355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.074355 (E_RNA)
where:
Base-Base interactions energy: -31.888
where: short stacking energy: -24.328
Base-Backbone interact. energy: -0.662
local terms energy: -39.524036
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -2.549
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -206.267372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.267372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.267372 (E_RNA)
where:
Base-Base interactions energy: -130.368
where: short stacking energy: -53.632
Base-Backbone interact. energy: -0.023
local terms energy: -75.875803
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -198.955688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.955688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.955688 (E_RNA)
where:
Base-Base interactions energy: -129.950
where: short stacking energy: -62.058
Base-Backbone interact. energy: -0.005
local terms energy: -69.000870
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -178.377496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.377496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.377496 (E_RNA)
where:
Base-Base interactions energy: -110.350
where: short stacking energy: -51.411
Base-Backbone interact. energy: -0.001
local terms energy: -68.026365
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -148.673903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.673903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.673903 (E_RNA)
where:
Base-Base interactions energy: -84.786
where: short stacking energy: -51.870
Base-Backbone interact. energy: -0.170
local terms energy: -63.718734
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -12.578
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: 303
Temperature: 1.100000
Total energy: -138.939104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.939104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.939104 (E_RNA)
where:
Base-Base interactions energy: -86.372
where: short stacking energy: -33.022
Base-Backbone interact. energy: -0.147
local terms energy: -52.420066
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -4.030
tors. eta vs tors. theta energy: -7.905
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: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -85.772112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.772112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.772112 (E_RNA)
where:
Base-Base interactions energy: -37.937
where: short stacking energy: -34.336
Base-Backbone interact. energy: -0.014
local terms energy: -47.820281
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -88.592711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.592711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.592711 (E_RNA)
where:
Base-Base interactions energy: -34.358
where: short stacking energy: -31.617
Base-Backbone interact. energy: -0.176
local terms energy: -54.058912
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -86.099480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.099480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.099480 (E_RNA)
where:
Base-Base interactions energy: -40.894
where: short stacking energy: -29.672
Base-Backbone interact. energy: -0.105
local terms energy: -45.100927
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -5.067
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: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -75.941520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.941520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.941520 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -20.681
Base-Backbone interact. energy: -0.048
local terms energy: -45.999051
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -3.688
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: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -72.019087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.019087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.019087 (E_RNA)
where:
Base-Base interactions energy: -22.672
where: short stacking energy: -22.010
Base-Backbone interact. energy: -0.048
local terms energy: -49.298570
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -208.532275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.532275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.532275 (E_RNA)
where:
Base-Base interactions energy: -133.762
where: short stacking energy: -63.069
Base-Backbone interact. energy: -0.158
local terms energy: -74.611823
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -18.403
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: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -206.239948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.239948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.239948 (E_RNA)
where:
Base-Base interactions energy: -131.101
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.001
local terms energy: -75.137612
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -171.446818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.446818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.446818 (E_RNA)
where:
Base-Base interactions energy: -102.195
where: short stacking energy: -45.317
Base-Backbone interact. energy: 1.939
local terms energy: -71.191085
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -145.462372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.462372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.462372 (E_RNA)
where:
Base-Base interactions energy: -81.930
where: short stacking energy: -46.012
Base-Backbone interact. energy: -0.112
local terms energy: -63.420726
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -12.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -143.990790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.990790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.990790 (E_RNA)
where:
Base-Base interactions energy: -89.957
where: short stacking energy: -41.353
Base-Backbone interact. energy: 1.860
local terms energy: -55.893595
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -9.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -90.904480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.904480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.904480 (E_RNA)
where:
Base-Base interactions energy: -37.925
where: short stacking energy: -32.599
Base-Backbone interact. energy: -0.047
local terms energy: -52.931914
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -85.046736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.046736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.046736 (E_RNA)
where:
Base-Base interactions energy: -30.028
where: short stacking energy: -30.028
Base-Backbone interact. energy: -0.115
local terms energy: -54.903958
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -9.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -84.976871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.976871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.976871 (E_RNA)
where:
Base-Base interactions energy: -35.975
where: short stacking energy: -32.968
Base-Backbone interact. energy: -0.111
local terms energy: -48.891406
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -4.766
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: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -95.892198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.892198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.892198 (E_RNA)
where:
Base-Base interactions energy: -51.260
where: short stacking energy: -25.530
Base-Backbone interact. energy: -1.211
local terms energy: -43.421255
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -82.208700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.208700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.208700 (E_RNA)
where:
Base-Base interactions energy: -41.471
where: short stacking energy: -15.694
Base-Backbone interact. energy: -0.033
local terms energy: -40.705162
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: 3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -208.622201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.622201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.622201 (E_RNA)
where:
Base-Base interactions energy: -134.632
where: short stacking energy: -64.147
Base-Backbone interact. energy: -0.006
local terms energy: -73.984409
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -19.944
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: 2, replica: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -203.036217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.036217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.036217 (E_RNA)
where:
Base-Base interactions energy: -131.412
where: short stacking energy: -61.954
Base-Backbone interact. energy: -0.000
local terms energy: -71.623646
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -177.428903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.428903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.428903 (E_RNA)
where:
Base-Base interactions energy: -112.646
where: short stacking energy: -61.301
Base-Backbone interact. energy: -0.024
local terms energy: -64.759115
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -153.592226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.592226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.592226 (E_RNA)
where:
Base-Base interactions energy: -89.539
where: short stacking energy: -42.957
Base-Backbone interact. energy: -0.877
local terms energy: -63.177067
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -6.523
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: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -162.631788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.631788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.631788 (E_RNA)
where:
Base-Base interactions energy: -98.278
where: short stacking energy: -53.487
Base-Backbone interact. energy: 0.977
local terms energy: -65.331098
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -3.130
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -89.544699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.544699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.544699 (E_RNA)
where:
Base-Base interactions energy: -35.415
where: short stacking energy: -35.415
Base-Backbone interact. energy: 0.127
local terms energy: -54.256905
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -107.643435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.643435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.643435 (E_RNA)
where:
Base-Base interactions energy: -56.027
where: short stacking energy: -37.455
Base-Backbone interact. energy: -0.074
local terms energy: -51.543084
where:
bonds (distance) C4'-P energy: -8.321
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -75.176999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.176999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.176999 (E_RNA)
where:
Base-Base interactions energy: -27.523
where: short stacking energy: -13.577
Base-Backbone interact. energy: -0.006
local terms energy: -47.648310
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -80.698818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.698818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.698818 (E_RNA)
where:
Base-Base interactions energy: -33.383
where: short stacking energy: -19.519
Base-Backbone interact. energy: -0.587
local terms energy: -46.727909
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -71.262617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.262617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.262617 (E_RNA)
where:
Base-Base interactions energy: -18.971
where: short stacking energy: -18.359
Base-Backbone interact. energy: -0.240
local terms energy: -52.051489
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -5.602
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: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -210.079053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.079053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.079053 (E_RNA)
where:
Base-Base interactions energy: -140.758
where: short stacking energy: -65.930
Base-Backbone interact. energy: -0.000
local terms energy: -69.320775
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -20.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -193.676217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.676217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.676217 (E_RNA)
where:
Base-Base interactions energy: -125.283
where: short stacking energy: -55.979
Base-Backbone interact. energy: -0.201
local terms energy: -68.192210
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -170.621758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.621758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.621758 (E_RNA)
where:
Base-Base interactions energy: -102.379
where: short stacking energy: -42.989
Base-Backbone interact. energy: -0.215
local terms energy: -68.027448
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -14.799
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: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -172.669212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.669212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.669212 (E_RNA)
where:
Base-Base interactions energy: -108.370
where: short stacking energy: -54.886
Base-Backbone interact. energy: -0.069
local terms energy: -64.229724
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -150.008473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.008473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.008473 (E_RNA)
where:
Base-Base interactions energy: -89.047
where: short stacking energy: -43.782
Base-Backbone interact. energy: 0.258
local terms energy: -61.220021
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -7.054
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: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -90.447756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.447756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.447756 (E_RNA)
where:
Base-Base interactions energy: -37.538
where: short stacking energy: -37.538
Base-Backbone interact. energy: -0.171
local terms energy: -52.738668
where:
bonds (distance) C4'-P energy: -8.305
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -90.753757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.753757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.753757 (E_RNA)
where:
Base-Base interactions energy: -41.886
where: short stacking energy: -33.012
Base-Backbone interact. energy: 0.520
local terms energy: -49.387774
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -80.282155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.282155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.282155 (E_RNA)
where:
Base-Base interactions energy: -26.590
where: short stacking energy: -25.762
Base-Backbone interact. energy: -1.271
local terms energy: -52.422109
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -4.000
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: 9, replica: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -86.754741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.754741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.754741 (E_RNA)
where:
Base-Base interactions energy: -36.556
where: short stacking energy: -28.976
Base-Backbone interact. energy: -0.020
local terms energy: -50.178839
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -10.008
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -9.438
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: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -73.874210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.874210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.874210 (E_RNA)
where:
Base-Base interactions energy: -34.535
where: short stacking energy: -21.815
Base-Backbone interact. energy: -0.287
local terms energy: -39.052289
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -4.671
flat angles P-C4'-P energy: -7.616
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: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -201.702363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.702363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.702363 (E_RNA)
where:
Base-Base interactions energy: -133.558
where: short stacking energy: -52.283
Base-Backbone interact. energy: -0.038
local terms energy: -68.105807
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -16.371
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: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -212.119653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.119653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.119653 (E_RNA)
where:
Base-Base interactions energy: -136.484
where: short stacking energy: -63.130
Base-Backbone interact. energy: -0.033
local terms energy: -75.602609
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -171.555014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.555014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.555014 (E_RNA)
where:
Base-Base interactions energy: -102.127
where: short stacking energy: -42.946
Base-Backbone interact. energy: -0.098
local terms energy: -69.329488
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -161.502232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.502232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.502232 (E_RNA)
where:
Base-Base interactions energy: -91.738
where: short stacking energy: -50.000
Base-Backbone interact. energy: -1.093
local terms energy: -68.671510
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -161.429060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.429060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.429060 (E_RNA)
where:
Base-Base interactions energy: -91.725
where: short stacking energy: -43.793
Base-Backbone interact. energy: -0.903
local terms energy: -68.801872
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -95.146529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.146529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.146529 (E_RNA)
where:
Base-Base interactions energy: -38.415
where: short stacking energy: -24.541
Base-Backbone interact. energy: -0.664
local terms energy: -56.068229
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -8.334
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: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -97.993972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.993972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.993972 (E_RNA)
where:
Base-Base interactions energy: -45.492
where: short stacking energy: -33.268
Base-Backbone interact. energy: -0.463
local terms energy: -52.038845
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -82.750775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.750775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.750775 (E_RNA)
where:
Base-Base interactions energy: -24.472
where: short stacking energy: -24.472
Base-Backbone interact. energy: -0.134
local terms energy: -58.143949
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -76.841416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.841416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.841416 (E_RNA)
where:
Base-Base interactions energy: -22.166
where: short stacking energy: -22.166
Base-Backbone interact. energy: -0.506
local terms energy: -54.169180
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -76.065281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.065281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.065281 (E_RNA)
where:
Base-Base interactions energy: -26.247
where: short stacking energy: -14.917
Base-Backbone interact. energy: -0.163
local terms energy: -49.655598
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: 0.952
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: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -210.011777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.011777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.011777 (E_RNA)
where:
Base-Base interactions energy: -139.097
where: short stacking energy: -61.703
Base-Backbone interact. energy: 0.269
local terms energy: -71.183543
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -16.944
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: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -199.719810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.719810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.719810 (E_RNA)
where:
Base-Base interactions energy: -130.837
where: short stacking energy: -52.552
Base-Backbone interact. energy: -0.001
local terms energy: -68.882102
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -158.800318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.800318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.800318 (E_RNA)
where:
Base-Base interactions energy: -92.629
where: short stacking energy: -33.357
Base-Backbone interact. energy: 0.003
local terms energy: -66.174505
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -4.700
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: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -144.137277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.137277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.137277 (E_RNA)
where:
Base-Base interactions energy: -84.488
where: short stacking energy: -43.836
Base-Backbone interact. energy: -0.075
local terms energy: -59.574344
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -8.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -145.909031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.909031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.909031 (E_RNA)
where:
Base-Base interactions energy: -91.206
where: short stacking energy: -41.714
Base-Backbone interact. energy: -0.041
local terms energy: -54.661529
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -7.437
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: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -83.242569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.242569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.242569 (E_RNA)
where:
Base-Base interactions energy: -32.528
where: short stacking energy: -27.157
Base-Backbone interact. energy: -0.681
local terms energy: -50.034001
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -92.232553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.232553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.232553 (E_RNA)
where:
Base-Base interactions energy: -41.302
where: short stacking energy: -21.090
Base-Backbone interact. energy: -1.524
local terms energy: -49.406446
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -2.807
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: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -88.403026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.403026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.403026 (E_RNA)
where:
Base-Base interactions energy: -31.713
where: short stacking energy: -27.259
Base-Backbone interact. energy: -0.010
local terms energy: -56.680315
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -89.803924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.803924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.803924 (E_RNA)
where:
Base-Base interactions energy: -45.623
where: short stacking energy: -24.634
Base-Backbone interact. energy: -0.037
local terms energy: -44.144296
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: 0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -70.130083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.130083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.130083 (E_RNA)
where:
Base-Base interactions energy: -37.458
where: short stacking energy: -25.634
Base-Backbone interact. energy: 1.363
local terms energy: -34.035324
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -1.292
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: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -210.586294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.586294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.586294 (E_RNA)
where:
Base-Base interactions energy: -137.171
where: short stacking energy: -61.570
Base-Backbone interact. energy: -0.724
local terms energy: -72.691706
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -18.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -205.653949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.653949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.653949 (E_RNA)
where:
Base-Base interactions energy: -135.213
where: short stacking energy: -59.397
Base-Backbone interact. energy: -0.001
local terms energy: -70.439967
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -163.335635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.335635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.335635 (E_RNA)
where:
Base-Base interactions energy: -96.653
where: short stacking energy: -50.235
Base-Backbone interact. energy: -0.154
local terms energy: -66.528759
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -170.850148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.850148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.850148 (E_RNA)
where:
Base-Base interactions energy: -106.172
where: short stacking energy: -42.965
Base-Backbone interact. energy: -0.274
local terms energy: -64.404668
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -11.791
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: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -143.001217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.001217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.001217 (E_RNA)
where:
Base-Base interactions energy: -85.820
where: short stacking energy: -51.558
Base-Backbone interact. energy: -0.127
local terms energy: -57.054946
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -11.879
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: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -88.866341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.866341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.866341 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -30.514
Base-Backbone interact. energy: -0.120
local terms energy: -54.059370
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -4.878
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: 7, replica: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -90.556882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.556882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.556882 (E_RNA)
where:
Base-Base interactions energy: -40.703
where: short stacking energy: -21.863
Base-Backbone interact. energy: -0.118
local terms energy: -49.735956
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -7.772
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: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -120.341388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.341388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.341388 (E_RNA)
where:
Base-Base interactions energy: -65.627
where: short stacking energy: -30.596
Base-Backbone interact. energy: 0.591
local terms energy: -55.305340
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -7.901
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: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -71.128219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.128219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.128219 (E_RNA)
where:
Base-Base interactions energy: -26.309
where: short stacking energy: -22.092
Base-Backbone interact. energy: -0.054
local terms energy: -44.765145
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -73.029186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.029186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.029186 (E_RNA)
where:
Base-Base interactions energy: -28.417
where: short stacking energy: -16.664
Base-Backbone interact. energy: 0.243
local terms energy: -44.854980
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -9.544
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: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -208.017914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.017914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.017914 (E_RNA)
where:
Base-Base interactions energy: -136.554
where: short stacking energy: -63.386
Base-Backbone interact. energy: -0.001
local terms energy: -71.462783
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -211.930343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.930343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.930343 (E_RNA)
where:
Base-Base interactions energy: -139.478
where: short stacking energy: -64.642
Base-Backbone interact. energy: -0.060
local terms energy: -72.392053
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -170.263788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.263788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.263788 (E_RNA)
where:
Base-Base interactions energy: -108.181
where: short stacking energy: -49.712
Base-Backbone interact. energy: -0.137
local terms energy: -61.945978
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -147.628506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.628506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.628506 (E_RNA)
where:
Base-Base interactions energy: -84.274
where: short stacking energy: -43.361
Base-Backbone interact. energy: -0.312
local terms energy: -63.042002
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -99.387049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.387049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.387049 (E_RNA)
where:
Base-Base interactions energy: -37.423
where: short stacking energy: -37.423
Base-Backbone interact. energy: -0.050
local terms energy: -61.914236
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -9.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -103.743759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.743759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.743759 (E_RNA)
where:
Base-Base interactions energy: -61.560
where: short stacking energy: -27.073
Base-Backbone interact. energy: -0.234
local terms energy: -41.950048
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -6.322
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: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -74.611304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.611304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.611304 (E_RNA)
where:
Base-Base interactions energy: -31.544
where: short stacking energy: -19.458
Base-Backbone interact. energy: 0.112
local terms energy: -43.180058
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -7.084
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: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -85.655831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.655831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.655831 (E_RNA)
where:
Base-Base interactions energy: -41.727
where: short stacking energy: -20.375
Base-Backbone interact. energy: 0.128
local terms energy: -44.057341
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -7.623
flat angles P-C4'-P energy: -5.730
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: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -80.005432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.005432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.005432 (E_RNA)
where:
Base-Base interactions energy: -25.944
where: short stacking energy: -25.944
Base-Backbone interact. energy: 4.895
local terms energy: -58.956395
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -73.287090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.287090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.287090 (E_RNA)
where:
Base-Base interactions energy: -24.766
where: short stacking energy: -24.707
Base-Backbone interact. energy: 0.186
local terms energy: -48.707410
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -205.464769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.464769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.464769 (E_RNA)
where:
Base-Base interactions energy: -137.149
where: short stacking energy: -64.670
Base-Backbone interact. energy: -0.006
local terms energy: -68.310473
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -205.585719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.585719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.585719 (E_RNA)
where:
Base-Base interactions energy: -135.849
where: short stacking energy: -65.007
Base-Backbone interact. energy: 0.120
local terms energy: -69.856874
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -204.887210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.887210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.887210 (E_RNA)
where:
Base-Base interactions energy: -128.716
where: short stacking energy: -64.180
Base-Backbone interact. energy: -0.083
local terms energy: -76.088735
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -101.841142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.841142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.841142 (E_RNA)
where:
Base-Base interactions energy: -48.170
where: short stacking energy: -43.610
Base-Backbone interact. energy: -0.487
local terms energy: -53.183892
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -5.074
flat angles P-C4'-P energy: -9.508
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: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -149.388924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.388924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.388924 (E_RNA)
where:
Base-Base interactions energy: -87.714
where: short stacking energy: -50.728
Base-Backbone interact. energy: -0.434
local terms energy: -61.241139
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -109.424389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.424389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.424389 (E_RNA)
where:
Base-Base interactions energy: -58.345
where: short stacking energy: -29.571
Base-Backbone interact. energy: -0.220
local terms energy: -50.858784
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -79.452999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.452999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.452999 (E_RNA)
where:
Base-Base interactions energy: -30.259
where: short stacking energy: -30.259
Base-Backbone interact. energy: -0.164
local terms energy: -49.029946
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -7.548
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -8.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -74.591607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.591607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.591607 (E_RNA)
where:
Base-Base interactions energy: -31.674
where: short stacking energy: -19.812
Base-Backbone interact. energy: -0.156
local terms energy: -42.761416
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: 1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -79.696577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.696577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.696577 (E_RNA)
where:
Base-Base interactions energy: -29.422
where: short stacking energy: -29.422
Base-Backbone interact. energy: -0.137
local terms energy: -50.137437
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -76.429079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.429079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.429079 (E_RNA)
where:
Base-Base interactions energy: -35.709
where: short stacking energy: -19.832
Base-Backbone interact. energy: 0.055
local terms energy: -40.775367
where:
bonds (distance) C4'-P energy: -8.145
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -6.497
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -217.771720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.771720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.771720 (E_RNA)
where:
Base-Base interactions energy: -142.676
where: short stacking energy: -59.950
Base-Backbone interact. energy: -0.229
local terms energy: -74.866101
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -204.376908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.376908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.376908 (E_RNA)
where:
Base-Base interactions energy: -132.593
where: short stacking energy: -63.728
Base-Backbone interact. energy: -0.063
local terms energy: -71.720863
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -19.915
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: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -203.547818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.547818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.547818 (E_RNA)
where:
Base-Base interactions energy: -138.318
where: short stacking energy: -56.711
Base-Backbone interact. energy: -0.485
local terms energy: -64.744752
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -123.833617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.833617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.833617 (E_RNA)
where:
Base-Base interactions energy: -61.933
where: short stacking energy: -50.299
Base-Backbone interact. energy: -0.188
local terms energy: -61.712784
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -7.169
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -11.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -116.134016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.134016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.134016 (E_RNA)
where:
Base-Base interactions energy: -64.259
where: short stacking energy: -38.818
Base-Backbone interact. energy: -0.080
local terms energy: -51.794603
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -150.655956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.655956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.655956 (E_RNA)
where:
Base-Base interactions energy: -91.743
where: short stacking energy: -55.460
Base-Backbone interact. energy: -0.414
local terms energy: -58.498835
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -6.088
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -79.309751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.309751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.309751 (E_RNA)
where:
Base-Base interactions energy: -31.912
where: short stacking energy: -26.549
Base-Backbone interact. energy: -0.124
local terms energy: -47.273811
where:
bonds (distance) C4'-P energy: -8.080
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -85.132692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.132692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.132692 (E_RNA)
where:
Base-Base interactions energy: -30.989
where: short stacking energy: -30.841
Base-Backbone interact. energy: -0.036
local terms energy: -54.108267
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -11.374
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: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -70.185452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.185452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.185452 (E_RNA)
where:
Base-Base interactions energy: -33.264
where: short stacking energy: -15.351
Base-Backbone interact. energy: -0.203
local terms energy: -36.719265
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: 1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -76.390858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.390858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.390858 (E_RNA)
where:
Base-Base interactions energy: -29.577
where: short stacking energy: -25.577
Base-Backbone interact. energy: -1.168
local terms energy: -45.645349
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -6.955
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: 313
Temperature: 0.900000
Total energy: -209.325839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.325839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.325839 (E_RNA)
where:
Base-Base interactions energy: -139.710
where: short stacking energy: -57.868
Base-Backbone interact. energy: -0.001
local terms energy: -69.614463
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -18.502
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: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -208.117504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.117504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.117504 (E_RNA)
where:
Base-Base interactions energy: -134.567
where: short stacking energy: -56.883
Base-Backbone interact. energy: -0.401
local terms energy: -73.149338
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -19.556
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: 313
Temperature: 1.000000
Total energy: -183.186718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.186718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.186718 (E_RNA)
where:
Base-Base interactions energy: -123.269
where: short stacking energy: -52.107
Base-Backbone interact. energy: -0.101
local terms energy: -59.817451
where:
bonds (distance) C4'-P energy: -9.049
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -19.217
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: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -129.573375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.573375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.573375 (E_RNA)
where:
Base-Base interactions energy: -75.246
where: short stacking energy: -37.470
Base-Backbone interact. energy: -1.105
local terms energy: -53.222503
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -3.680
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -96.792866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.792866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.792866 (E_RNA)
where:
Base-Base interactions energy: -42.148
where: short stacking energy: -42.148
Base-Backbone interact. energy: 1.321
local terms energy: -55.965775
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -130.465857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.465857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.465857 (E_RNA)
where:
Base-Base interactions energy: -77.137
where: short stacking energy: -39.524
Base-Backbone interact. energy: -0.100
local terms energy: -53.229306
where:
bonds (distance) C4'-P energy: -9.770
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -7.916
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: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -85.262686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.262686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.262686 (E_RNA)
where:
Base-Base interactions energy: -46.540
where: short stacking energy: -16.851
Base-Backbone interact. energy: -0.217
local terms energy: -38.505945
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -9.748
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: 1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -88.290263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.290263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.290263 (E_RNA)
where:
Base-Base interactions energy: -37.340
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.068
local terms energy: -50.881770
where:
bonds (distance) C4'-P energy: -9.066
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -6.119
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: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -71.084522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.084522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.084522 (E_RNA)
where:
Base-Base interactions energy: -20.583
where: short stacking energy: -20.583
Base-Backbone interact. energy: -0.478
local terms energy: -50.024280
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -74.137073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.137073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.137073 (E_RNA)
where:
Base-Base interactions energy: -29.994
where: short stacking energy: -29.994
Base-Backbone interact. energy: -0.031
local terms energy: -44.112343
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -4.620
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: 1, replica: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -207.745718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.745718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.745718 (E_RNA)
where:
Base-Base interactions energy: -136.596
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.197
local terms energy: -70.953125
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -206.487376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.487376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.487376 (E_RNA)
where:
Base-Base interactions energy: -134.828
where: short stacking energy: -57.765
Base-Backbone interact. energy: -0.004
local terms energy: -71.655495
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -165.714099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.714099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.714099 (E_RNA)
where:
Base-Base interactions energy: -102.161
where: short stacking energy: -42.804
Base-Backbone interact. energy: -0.175
local terms energy: -63.377662
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -126.780595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.780595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.780595 (E_RNA)
where:
Base-Base interactions energy: -73.728
where: short stacking energy: -37.186
Base-Backbone interact. energy: -0.289
local terms energy: -52.763935
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -6.654
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: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -138.055880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.055880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.055880 (E_RNA)
where:
Base-Base interactions energy: -77.393
where: short stacking energy: -45.348
Base-Backbone interact. energy: -0.014
local terms energy: -60.649155
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -97.679600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.679600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.679600 (E_RNA)
where:
Base-Base interactions energy: -42.733
where: short stacking energy: -43.033
Base-Backbone interact. energy: -0.146
local terms energy: -54.800418
where:
bonds (distance) C4'-P energy: -8.933
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -92.116378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.116378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.116378 (E_RNA)
where:
Base-Base interactions energy: -47.221
where: short stacking energy: -28.983
Base-Backbone interact. energy: 0.543
local terms energy: -45.437828
where:
bonds (distance) C4'-P energy: -7.903
bonds (distance) P-C4' energy: -9.195
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -2.979
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: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -84.646724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.646724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.646724 (E_RNA)
where:
Base-Base interactions energy: -31.062
where: short stacking energy: -28.177
Base-Backbone interact. energy: -0.068
local terms energy: -53.516890
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -96.933886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.933886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.933886 (E_RNA)
where:
Base-Base interactions energy: -43.131
where: short stacking energy: -36.581
Base-Backbone interact. energy: 0.005
local terms energy: -53.808074
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -72.821209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.821209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.821209 (E_RNA)
where:
Base-Base interactions energy: -25.098
where: short stacking energy: -22.175
Base-Backbone interact. energy: -0.175
local terms energy: -47.548372
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -5.787
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -205.054738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.054738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.054738 (E_RNA)
where:
Base-Base interactions energy: -133.028
where: short stacking energy: -57.029
Base-Backbone interact. energy: 1.961
local terms energy: -73.987798
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -19.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -192.805683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.805683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.805683 (E_RNA)
where:
Base-Base interactions energy: -121.912
where: short stacking energy: -52.945
Base-Backbone interact. energy: -0.003
local terms energy: -70.890748
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -17.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -179.376979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.376979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.376979 (E_RNA)
where:
Base-Base interactions energy: -127.417
where: short stacking energy: -48.003
Base-Backbone interact. energy: -0.176
local terms energy: -51.784028
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -8.653
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -10.298
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: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -144.750096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.750096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.750096 (E_RNA)
where:
Base-Base interactions energy: -82.290
where: short stacking energy: -47.966
Base-Backbone interact. energy: -0.491
local terms energy: -61.969453
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -143.744247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.744247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.744247 (E_RNA)
where:
Base-Base interactions energy: -85.951
where: short stacking energy: -45.865
Base-Backbone interact. energy: 0.137
local terms energy: -57.930455
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -12.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -131.761489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.761489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.761489 (E_RNA)
where:
Base-Base interactions energy: -82.962
where: short stacking energy: -42.440
Base-Backbone interact. energy: -0.277
local terms energy: -48.522584
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -93.171754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.171754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.171754 (E_RNA)
where:
Base-Base interactions energy: -32.106
where: short stacking energy: -30.212
Base-Backbone interact. energy: -0.081
local terms energy: -60.984770
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -7.393
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: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -84.599964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.599964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.599964 (E_RNA)
where:
Base-Base interactions energy: -31.178
where: short stacking energy: -30.279
Base-Backbone interact. energy: -0.083
local terms energy: -53.339263
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -8.819
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: 9, replica: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -71.743416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.743416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.743416 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -27.286
Base-Backbone interact. energy: 0.171
local terms energy: -40.584244
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -6.783
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -72.934439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.934439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.934439 (E_RNA)
where:
Base-Base interactions energy: -33.618
where: short stacking energy: -21.417
Base-Backbone interact. energy: -0.193
local terms energy: -39.123831
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -9.467
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -4.192
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: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -204.873104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.873104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.873104 (E_RNA)
where:
Base-Base interactions energy: -133.692
where: short stacking energy: -62.506
Base-Backbone interact. energy: -0.002
local terms energy: -71.179041
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -17.618
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: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -200.594181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.594181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.594181 (E_RNA)
where:
Base-Base interactions energy: -133.342
where: short stacking energy: -58.299
Base-Backbone interact. energy: -0.020
local terms energy: -67.232198
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -160.062477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.062477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.062477 (E_RNA)
where:
Base-Base interactions energy: -97.497
where: short stacking energy: -48.919
Base-Backbone interact. energy: -1.085
local terms energy: -61.480328
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -167.212386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.212386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.212386 (E_RNA)
where:
Base-Base interactions energy: -102.385
where: short stacking energy: -54.124
Base-Backbone interact. energy: 0.381
local terms energy: -65.208918
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -134.267103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.267103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.267103 (E_RNA)
where:
Base-Base interactions energy: -82.759
where: short stacking energy: -41.639
Base-Backbone interact. energy: -0.159
local terms energy: -51.349177
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -11.012
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -119.142886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.142886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.142886 (E_RNA)
where:
Base-Base interactions energy: -67.674
where: short stacking energy: -36.836
Base-Backbone interact. energy: -1.791
local terms energy: -49.678068
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -2.830
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: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -84.701759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.701759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.701759 (E_RNA)
where:
Base-Base interactions energy: -36.492
where: short stacking energy: -36.492
Base-Backbone interact. energy: -0.109
local terms energy: -48.101049
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -92.203388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.203388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.203388 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.159
local terms energy: -54.939423
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -77.416526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.416526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.416526 (E_RNA)
where:
Base-Base interactions energy: -35.493
where: short stacking energy: -24.043
Base-Backbone interact. energy: -0.064
local terms energy: -41.859146
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -8.716
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: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -78.239110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.239110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.239110 (E_RNA)
where:
Base-Base interactions energy: -32.303
where: short stacking energy: -28.809
Base-Backbone interact. energy: -0.387
local terms energy: -45.548678
where:
bonds (distance) C4'-P energy: -7.885
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -10.489
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: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -198.377397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.377397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.377397 (E_RNA)
where:
Base-Base interactions energy: -129.470
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.001
local terms energy: -68.907050
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -17.556
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: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -172.325321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.325321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.325321 (E_RNA)
where:
Base-Base interactions energy: -106.696
where: short stacking energy: -55.363
Base-Backbone interact. energy: -0.238
local terms energy: -65.391714
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -193.349312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.349312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.349312 (E_RNA)
where:
Base-Base interactions energy: -123.553
where: short stacking energy: -56.720
Base-Backbone interact. energy: -0.590
local terms energy: -69.206667
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -150.762882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.762882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.762882 (E_RNA)
where:
Base-Base interactions energy: -88.607
where: short stacking energy: -38.386
Base-Backbone interact. energy: -0.275
local terms energy: -61.881001
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -151.885523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.885523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.885523 (E_RNA)
where:
Base-Base interactions energy: -89.442
where: short stacking energy: -41.958
Base-Backbone interact. energy: 0.035
local terms energy: -62.478580
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -136.275140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.275140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.275140 (E_RNA)
where:
Base-Base interactions energy: -76.639
where: short stacking energy: -45.355
Base-Backbone interact. energy: -0.873
local terms energy: -58.762966
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -9.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -84.672566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.672566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.672566 (E_RNA)
where:
Base-Base interactions energy: -40.270
where: short stacking energy: -19.409
Base-Backbone interact. energy: -0.274
local terms energy: -44.128446
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -3.939
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: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -85.671294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.671294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.671294 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -27.761
Base-Backbone interact. energy: -1.183
local terms energy: -50.936172
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -4.664
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: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -80.084564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.084564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.084564 (E_RNA)
where:
Base-Base interactions energy: -28.853
where: short stacking energy: -18.432
Base-Backbone interact. energy: -0.733
local terms energy: -50.498769
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -73.387554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.387554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.387554 (E_RNA)
where:
Base-Base interactions energy: -32.605
where: short stacking energy: -21.234
Base-Backbone interact. energy: 2.419
local terms energy: -43.201244
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -200.213902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.213902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.213902 (E_RNA)
where:
Base-Base interactions energy: -128.809
where: short stacking energy: -60.765
Base-Backbone interact. energy: -0.217
local terms energy: -71.187445
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -20.045
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: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -176.040467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.040467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.040467 (E_RNA)
where:
Base-Base interactions energy: -111.732
where: short stacking energy: -46.165
Base-Backbone interact. energy: 0.300
local terms energy: -64.607806
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -11.205
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: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -204.850221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.850221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.850221 (E_RNA)
where:
Base-Base interactions energy: -133.605
where: short stacking energy: -55.116
Base-Backbone interact. energy: -0.252
local terms energy: -70.993267
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -143.511305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.511305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.511305 (E_RNA)
where:
Base-Base interactions energy: -80.303
where: short stacking energy: -42.883
Base-Backbone interact. energy: -0.055
local terms energy: -63.153330
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -142.357253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.357253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.357253 (E_RNA)
where:
Base-Base interactions energy: -83.313
where: short stacking energy: -36.817
Base-Backbone interact. energy: -0.006
local terms energy: -59.037990
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -9.648
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: 8
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -165.346191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.346191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.346191 (E_RNA)
where:
Base-Base interactions energy: -103.213
where: short stacking energy: -48.692
Base-Backbone interact. energy: -0.456
local terms energy: -61.677052
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -93.035815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.035815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.035815 (E_RNA)
where:
Base-Base interactions energy: -31.612
where: short stacking energy: -31.612
Base-Backbone interact. energy: -0.016
local terms energy: -61.408132
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -87.075320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.075320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.075320 (E_RNA)
where:
Base-Base interactions energy: -35.366
where: short stacking energy: -32.455
Base-Backbone interact. energy: -0.157
local terms energy: -51.553202
where:
bonds (distance) C4'-P energy: -10.362
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -72.894450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.894450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.894450 (E_RNA)
where:
Base-Base interactions energy: -32.384
where: short stacking energy: -12.414
Base-Backbone interact. energy: -0.078
local terms energy: -40.432392
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -6.372
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: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -69.376682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.376682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.376682 (E_RNA)
where:
Base-Base interactions energy: -19.202
where: short stacking energy: -19.202
Base-Backbone interact. energy: 0.204
local terms energy: -50.379079
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -6.078
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: 319
Temperature: 0.900000
Total energy: -203.354882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.354882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.354882 (E_RNA)
where:
Base-Base interactions energy: -132.215
where: short stacking energy: -55.676
Base-Backbone interact. energy: -0.528
local terms energy: -70.611091
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -199.243091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.243091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.243091 (E_RNA)
where:
Base-Base interactions energy: -126.074
where: short stacking energy: -55.229
Base-Backbone interact. energy: -0.029
local terms energy: -73.140246
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -18.130
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: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -166.758930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.758930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.758930 (E_RNA)
where:
Base-Base interactions energy: -105.469
where: short stacking energy: -44.584
Base-Backbone interact. energy: -0.466
local terms energy: -60.824577
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -9.454
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: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -155.458934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.458934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.458934 (E_RNA)
where:
Base-Base interactions energy: -90.533
where: short stacking energy: -48.550
Base-Backbone interact. energy: -1.813
local terms energy: -63.112791
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -14.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -137.012753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.012753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.012753 (E_RNA)
where:
Base-Base interactions energy: -76.448
where: short stacking energy: -38.494
Base-Backbone interact. energy: -0.031
local terms energy: -60.534481
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -154.803529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.803529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.803529 (E_RNA)
where:
Base-Base interactions energy: -90.009
where: short stacking energy: -41.406
Base-Backbone interact. energy: -0.001
local terms energy: -64.793877
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -92.732682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.732682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.732682 (E_RNA)
where:
Base-Base interactions energy: -45.613
where: short stacking energy: -33.778
Base-Backbone interact. energy: 0.797
local terms energy: -47.916634
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -5.876
flat angles P-C4'-P energy: -6.946
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: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -82.415856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.415856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.415856 (E_RNA)
where:
Base-Base interactions energy: -35.424
where: short stacking energy: -30.301
Base-Backbone interact. energy: -0.208
local terms energy: -46.783678
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -9.000
flat angles P-C4'-P energy: -12.644
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: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -70.634460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.634460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.634460 (E_RNA)
where:
Base-Base interactions energy: -23.020
where: short stacking energy: -20.322
Base-Backbone interact. energy: -0.140
local terms energy: -47.475119
where:
bonds (distance) C4'-P energy: -9.430
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -71.628509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.628509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.628509 (E_RNA)
where:
Base-Base interactions energy: -25.380
where: short stacking energy: -22.494
Base-Backbone interact. energy: -0.191
local terms energy: -46.057310
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -1.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -202.319793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.319793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.319793 (E_RNA)
where:
Base-Base interactions energy: -136.385
where: short stacking energy: -58.628
Base-Backbone interact. energy: -0.028
local terms energy: -65.906819
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -207.977020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.977020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.977020 (E_RNA)
where:
Base-Base interactions energy: -138.414
where: short stacking energy: -62.496
Base-Backbone interact. energy: -0.089
local terms energy: -69.474587
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -163.758235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.758235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.758235 (E_RNA)
where:
Base-Base interactions energy: -91.342
where: short stacking energy: -53.535
Base-Backbone interact. energy: -0.098
local terms energy: -72.318299
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -154.600311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.600311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.600311 (E_RNA)
where:
Base-Base interactions energy: -92.517
where: short stacking energy: -52.989
Base-Backbone interact. energy: -0.259
local terms energy: -61.824913
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -147.629151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.629151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.629151 (E_RNA)
where:
Base-Base interactions energy: -84.199
where: short stacking energy: -43.516
Base-Backbone interact. energy: -0.002
local terms energy: -63.428174
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -8.071
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: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -144.156500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.156500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.156500 (E_RNA)
where:
Base-Base interactions energy: -84.629
where: short stacking energy: -36.842
Base-Backbone interact. energy: 0.032
local terms energy: -59.559073
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -8.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -86.945719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.945719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.945719 (E_RNA)
where:
Base-Base interactions energy: -44.145
where: short stacking energy: -40.145
Base-Backbone interact. energy: -1.664
local terms energy: -41.137144
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: 3.536
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: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -90.431459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.431459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.431459 (E_RNA)
where:
Base-Base interactions energy: -36.308
where: short stacking energy: -36.308
Base-Backbone interact. energy: -0.078
local terms energy: -54.045857
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -9.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -80.524674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.524674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.524674 (E_RNA)
where:
Base-Base interactions energy: -27.876
where: short stacking energy: -27.037
Base-Backbone interact. energy: 0.009
local terms energy: -52.658277
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: 1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -92.002025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.002025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.002025 (E_RNA)
where:
Base-Base interactions energy: -46.768
where: short stacking energy: -38.911
Base-Backbone interact. energy: -0.138
local terms energy: -45.096261
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: 0.582
tors. eta vs tors. theta energy: -4.002
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: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -199.942383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.942383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.942383 (E_RNA)
where:
Base-Base interactions energy: -123.622
where: short stacking energy: -57.446
Base-Backbone interact. energy: -0.865
local terms energy: -75.456099
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -166.819021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.819021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.819021 (E_RNA)
where:
Base-Base interactions energy: -100.792
where: short stacking energy: -62.812
Base-Backbone interact. energy: -0.010
local terms energy: -66.017133
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -13.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -191.975800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.975800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.975800 (E_RNA)
where:
Base-Base interactions energy: -124.706
where: short stacking energy: -52.407
Base-Backbone interact. energy: 0.774
local terms energy: -68.043912
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -173.100865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.100865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.100865 (E_RNA)
where:
Base-Base interactions energy: -105.822
where: short stacking energy: -54.441
Base-Backbone interact. energy: -0.433
local terms energy: -66.846242
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -151.783318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.783318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.783318 (E_RNA)
where:
Base-Base interactions energy: -84.754
where: short stacking energy: -50.675
Base-Backbone interact. energy: -0.132
local terms energy: -66.897447
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -146.648258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.648258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.648258 (E_RNA)
where:
Base-Base interactions energy: -88.135
where: short stacking energy: -48.431
Base-Backbone interact. energy: -0.005
local terms energy: -58.508744
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -79.376270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.376270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.376270 (E_RNA)
where:
Base-Base interactions energy: -24.683
where: short stacking energy: -22.681
Base-Backbone interact. energy: -0.165
local terms energy: -54.528588
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -5.626
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: 321
Temperature: 1.250000
Total energy: -90.972394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.972394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.972394 (E_RNA)
where:
Base-Base interactions energy: -46.836
where: short stacking energy: -25.973
Base-Backbone interact. energy: -0.102
local terms energy: -44.034286
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -4.961
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -77.604662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.604662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.604662 (E_RNA)
where:
Base-Base interactions energy: -30.363
where: short stacking energy: -16.757
Base-Backbone interact. energy: 2.584
local terms energy: -49.825911
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: 2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -72.811063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.811063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.811063 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -23.527
Base-Backbone interact. energy: -0.247
local terms energy: -40.887890
where:
bonds (distance) C4'-P energy: -8.309
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -8.499
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -211.221721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.221721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.221721 (E_RNA)
where:
Base-Base interactions energy: -142.495
where: short stacking energy: -64.464
Base-Backbone interact. energy: -0.065
local terms energy: -68.662023
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -19.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -168.953785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.953785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.953785 (E_RNA)
where:
Base-Base interactions energy: -99.501
where: short stacking energy: -60.954
Base-Backbone interact. energy: -0.069
local terms energy: -69.383686
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -16.171
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: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -189.179228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.179228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.179228 (E_RNA)
where:
Base-Base interactions energy: -120.515
where: short stacking energy: -52.571
Base-Backbone interact. energy: -0.002
local terms energy: -68.662284
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -172.657816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.657816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.657816 (E_RNA)
where:
Base-Base interactions energy: -107.087
where: short stacking energy: -50.128
Base-Backbone interact. energy: -0.082
local terms energy: -65.488799
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -15.372
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: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -170.317378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.317378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.317378 (E_RNA)
where:
Base-Base interactions energy: -104.157
where: short stacking energy: -42.173
Base-Backbone interact. energy: -0.003
local terms energy: -66.157999
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -8.440
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: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -153.417308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.417308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.417308 (E_RNA)
where:
Base-Base interactions energy: -87.454
where: short stacking energy: -51.946
Base-Backbone interact. energy: 0.513
local terms energy: -66.475926
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -107.480391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.480391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.480391 (E_RNA)
where:
Base-Base interactions energy: -63.135
where: short stacking energy: -40.786
Base-Backbone interact. energy: -1.015
local terms energy: -43.330870
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -1.977
tors. eta vs tors. theta energy: -8.934
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: 8, replica: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -82.130943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.130943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.130943 (E_RNA)
where:
Base-Base interactions energy: -44.487
where: short stacking energy: -32.211
Base-Backbone interact. energy: 1.461
local terms energy: -39.104768
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -5.335
flat angles P-C4'-P energy: -4.564
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -117.770055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.770055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.770055 (E_RNA)
where:
Base-Base interactions energy: -73.002
where: short stacking energy: -30.628
Base-Backbone interact. energy: -0.243
local terms energy: -44.525490
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -72.167592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.167592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.167592 (E_RNA)
where:
Base-Base interactions energy: -23.673
where: short stacking energy: -14.896
Base-Backbone interact. energy: 0.494
local terms energy: -48.988820
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -6.798
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: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -208.429219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.429219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.429219 (E_RNA)
where:
Base-Base interactions energy: -141.829
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.015
local terms energy: -66.585860
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -196.764959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.764959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.764959 (E_RNA)
where:
Base-Base interactions energy: -125.696
where: short stacking energy: -61.078
Base-Backbone interact. energy: -0.004
local terms energy: -71.065747
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -21.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -167.630562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.630562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.630562 (E_RNA)
where:
Base-Base interactions energy: -99.217
where: short stacking energy: -54.963
Base-Backbone interact. energy: -0.058
local terms energy: -68.355891
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -154.551153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.551153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.551153 (E_RNA)
where:
Base-Base interactions energy: -97.604
where: short stacking energy: -39.229
Base-Backbone interact. energy: -0.025
local terms energy: -56.921727
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -12.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -149.982000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.982000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.982000 (E_RNA)
where:
Base-Base interactions energy: -88.589
where: short stacking energy: -36.695
Base-Backbone interact. energy: -0.070
local terms energy: -61.322916
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -138.288575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.288575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.288575 (E_RNA)
where:
Base-Base interactions energy: -77.735
where: short stacking energy: -47.693
Base-Backbone interact. energy: -0.280
local terms energy: -60.272978
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -101.348236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.348236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.348236 (E_RNA)
where:
Base-Base interactions energy: -51.108
where: short stacking energy: -38.429
Base-Backbone interact. energy: -0.062
local terms energy: -50.177866
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -3.178
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: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -132.970375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.970375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.970375 (E_RNA)
where:
Base-Base interactions energy: -85.420
where: short stacking energy: -34.565
Base-Backbone interact. energy: -1.058
local terms energy: -46.492854
where:
bonds (distance) C4'-P energy: -7.903
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -8.489
flat angles P-C4'-P energy: -2.270
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -85.553520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.553520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.553520 (E_RNA)
where:
Base-Base interactions energy: -41.288
where: short stacking energy: -19.542
Base-Backbone interact. energy: -0.167
local terms energy: -44.099006
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -9.519
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -77.352756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.352756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.352756 (E_RNA)
where:
Base-Base interactions energy: -26.507
where: short stacking energy: -17.055
Base-Backbone interact. energy: -0.254
local terms energy: -50.591528
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -2.270
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -206.212231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.212231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.212231 (E_RNA)
where:
Base-Base interactions energy: -140.374
where: short stacking energy: -62.923
Base-Backbone interact. energy: 0.304
local terms energy: -66.142529
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -18.981
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: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -206.940018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.940018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.940018 (E_RNA)
where:
Base-Base interactions energy: -136.687
where: short stacking energy: -66.609
Base-Backbone interact. energy: -0.004
local terms energy: -70.249085
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -18.803
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: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -168.499843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.499843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.499843 (E_RNA)
where:
Base-Base interactions energy: -107.145
where: short stacking energy: -48.989
Base-Backbone interact. energy: -1.196
local terms energy: -60.159083
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -10.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -170.340691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.340691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.340691 (E_RNA)
where:
Base-Base interactions energy: -103.393
where: short stacking energy: -44.949
Base-Backbone interact. energy: -0.102
local terms energy: -66.845769
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -12.435
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: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -119.715626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.715626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.715626 (E_RNA)
where:
Base-Base interactions energy: -68.120
where: short stacking energy: -33.276
Base-Backbone interact. energy: -0.018
local terms energy: -51.578094
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -8.124
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: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -131.974578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.974578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.974578 (E_RNA)
where:
Base-Base interactions energy: -71.983
where: short stacking energy: -35.507
Base-Backbone interact. energy: -0.274
local terms energy: -59.718239
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -10.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -156.808613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.808613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.808613 (E_RNA)
where:
Base-Base interactions energy: -101.328
where: short stacking energy: -35.463
Base-Backbone interact. energy: -1.185
local terms energy: -54.296390
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -3.167
tors. eta vs tors. theta energy: -7.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -81.135490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.135490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.135490 (E_RNA)
where:
Base-Base interactions energy: -32.466
where: short stacking energy: -22.792
Base-Backbone interact. energy: -0.128
local terms energy: -48.541896
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -6.775
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: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -75.948991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.948991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.948991 (E_RNA)
where:
Base-Base interactions energy: -22.989
where: short stacking energy: -21.327
Base-Backbone interact. energy: -0.250
local terms energy: -52.710643
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -76.684715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.684715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.684715 (E_RNA)
where:
Base-Base interactions energy: -37.062
where: short stacking energy: -27.825
Base-Backbone interact. energy: -0.554
local terms energy: -39.068418
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -201.320191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.320191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.320191 (E_RNA)
where:
Base-Base interactions energy: -135.214
where: short stacking energy: -54.350
Base-Backbone interact. energy: -0.079
local terms energy: -66.027342
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -15.883
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: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -207.158841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.158841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.158841 (E_RNA)
where:
Base-Base interactions energy: -137.938
where: short stacking energy: -57.871
Base-Backbone interact. energy: -0.134
local terms energy: -69.086772
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -21.208
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: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -156.899978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.899978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.899978 (E_RNA)
where:
Base-Base interactions energy: -93.317
where: short stacking energy: -56.163
Base-Backbone interact. energy: -0.607
local terms energy: -62.976753
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -165.847152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.847152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.847152 (E_RNA)
where:
Base-Base interactions energy: -114.206
where: short stacking energy: -45.050
Base-Backbone interact. energy: -0.109
local terms energy: -51.531791
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -103.572675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.572675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.572675 (E_RNA)
where:
Base-Base interactions energy: -51.741
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.102
local terms energy: -51.730494
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -6.119
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: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -149.142911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.142911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.142911 (E_RNA)
where:
Base-Base interactions energy: -85.652
where: short stacking energy: -39.536
Base-Backbone interact. energy: -0.666
local terms energy: -62.825497
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -86.823003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.823003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.823003 (E_RNA)
where:
Base-Base interactions energy: -32.345
where: short stacking energy: -32.345
Base-Backbone interact. energy: -0.196
local terms energy: -54.282228
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -4.304
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: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -82.415545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.415545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.415545 (E_RNA)
where:
Base-Base interactions energy: -33.712
where: short stacking energy: -32.951
Base-Backbone interact. energy: -0.143
local terms energy: -48.561262
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -8.018
flat angles P-C4'-P energy: -10.590
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: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -87.723869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.723869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.723869 (E_RNA)
where:
Base-Base interactions energy: -30.163
where: short stacking energy: -26.537
Base-Backbone interact. energy: -0.294
local terms energy: -57.266710
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -75.587314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.587314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.587314 (E_RNA)
where:
Base-Base interactions energy: -25.953
where: short stacking energy: -20.322
Base-Backbone interact. energy: -0.367
local terms energy: -49.267366
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -202.657075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.657075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.657075 (E_RNA)
where:
Base-Base interactions energy: -125.598
where: short stacking energy: -65.285
Base-Backbone interact. energy: -0.109
local terms energy: -76.949258
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -196.533372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.533372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.533372 (E_RNA)
where:
Base-Base interactions energy: -125.750
where: short stacking energy: -58.146
Base-Backbone interact. energy: 0.149
local terms energy: -70.932286
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -179.993862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.993862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.993862 (E_RNA)
where:
Base-Base interactions energy: -108.488
where: short stacking energy: -47.978
Base-Backbone interact. energy: -0.005
local terms energy: -71.500586
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -13.830
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: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -163.445046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.445046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.445046 (E_RNA)
where:
Base-Base interactions energy: -102.998
where: short stacking energy: -47.400
Base-Backbone interact. energy: -0.038
local terms energy: -60.409230
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -102.108980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.108980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.108980 (E_RNA)
where:
Base-Base interactions energy: -49.925
where: short stacking energy: -46.856
Base-Backbone interact. energy: -0.145
local terms energy: -52.039213
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -3.317
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -119.609908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.609908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.609908 (E_RNA)
where:
Base-Base interactions energy: -63.246
where: short stacking energy: -38.062
Base-Backbone interact. energy: -1.232
local terms energy: -55.131260
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -6.829
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: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -81.225049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.225049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.225049 (E_RNA)
where:
Base-Base interactions energy: -36.597
where: short stacking energy: -29.504
Base-Backbone interact. energy: -0.666
local terms energy: -43.961176
where:
bonds (distance) C4'-P energy: -6.635
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -3.145
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: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -79.315608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.315608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.315608 (E_RNA)
where:
Base-Base interactions energy: -33.067
where: short stacking energy: -29.661
Base-Backbone interact. energy: -0.282
local terms energy: -45.965985
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -4.173
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: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -82.061346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.061346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.061346 (E_RNA)
where:
Base-Base interactions energy: -36.421
where: short stacking energy: -22.960
Base-Backbone interact. energy: -0.207
local terms energy: -45.432996
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -76.920823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.920823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.920823 (E_RNA)
where:
Base-Base interactions energy: -27.971
where: short stacking energy: -23.935
Base-Backbone interact. energy: -0.120
local terms energy: -48.829891
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -8.928
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: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -208.092160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.092160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.092160 (E_RNA)
where:
Base-Base interactions energy: -129.151
where: short stacking energy: -61.693
Base-Backbone interact. energy: -0.070
local terms energy: -78.870240
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -191.327145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.327145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.327145 (E_RNA)
where:
Base-Base interactions energy: -121.875
where: short stacking energy: -61.073
Base-Backbone interact. energy: -0.002
local terms energy: -69.450905
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -171.805338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.805338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.805338 (E_RNA)
where:
Base-Base interactions energy: -101.986
where: short stacking energy: -50.806
Base-Backbone interact. energy: -0.311
local terms energy: -69.507676
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -167.452740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.452740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.452740 (E_RNA)
where:
Base-Base interactions energy: -105.504
where: short stacking energy: -50.075
Base-Backbone interact. energy: -0.191
local terms energy: -61.758207
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -10.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -150.790966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.790966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.790966 (E_RNA)
where:
Base-Base interactions energy: -93.344
where: short stacking energy: -47.173
Base-Backbone interact. energy: -0.158
local terms energy: -57.288773
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -122.259772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.259772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.259772 (E_RNA)
where:
Base-Base interactions energy: -59.780
where: short stacking energy: -48.742
Base-Backbone interact. energy: -0.923
local terms energy: -61.556137
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -109.229821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.229821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.229821 (E_RNA)
where:
Base-Base interactions energy: -58.419
where: short stacking energy: -26.839
Base-Backbone interact. energy: -0.148
local terms energy: -50.662761
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -87.752330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.752330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.752330 (E_RNA)
where:
Base-Base interactions energy: -36.078
where: short stacking energy: -35.328
Base-Backbone interact. energy: -0.010
local terms energy: -51.664222
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -11.168
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: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -78.748707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.748707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.748707 (E_RNA)
where:
Base-Base interactions energy: -43.358
where: short stacking energy: -21.058
Base-Backbone interact. energy: -0.324
local terms energy: -35.066729
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -6.635
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -7.125
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: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -82.962717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.962717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.962717 (E_RNA)
where:
Base-Base interactions energy: -37.881
where: short stacking energy: -35.153
Base-Backbone interact. energy: -0.083
local terms energy: -44.998639
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -3.976
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: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -210.191237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.191237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.191237 (E_RNA)
where:
Base-Base interactions energy: -138.645
where: short stacking energy: -57.887
Base-Backbone interact. energy: -0.085
local terms energy: -71.462066
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -210.256383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.256383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.256383 (E_RNA)
where:
Base-Base interactions energy: -137.102
where: short stacking energy: -57.660
Base-Backbone interact. energy: -0.157
local terms energy: -72.997654
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -161.849083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.849083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.849083 (E_RNA)
where:
Base-Base interactions energy: -102.403
where: short stacking energy: -46.458
Base-Backbone interact. energy: -0.090
local terms energy: -59.355984
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -182.329736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.329736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.329736 (E_RNA)
where:
Base-Base interactions energy: -118.417
where: short stacking energy: -53.608
Base-Backbone interact. energy: -0.009
local terms energy: -63.904275
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -147.558357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.558357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.558357 (E_RNA)
where:
Base-Base interactions energy: -86.438
where: short stacking energy: -45.447
Base-Backbone interact. energy: -0.363
local terms energy: -60.756661
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -9.537
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -86.881073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.881073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.881073 (E_RNA)
where:
Base-Base interactions energy: -38.252
where: short stacking energy: -31.893
Base-Backbone interact. energy: 0.225
local terms energy: -48.853985
where:
bonds (distance) C4'-P energy: -8.618
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -8.558
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: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -102.257174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.257174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.257174 (E_RNA)
where:
Base-Base interactions energy: -54.349
where: short stacking energy: -29.068
Base-Backbone interact. energy: 0.220
local terms energy: -48.127956
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -84.892728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.892728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.892728 (E_RNA)
where:
Base-Base interactions energy: -32.383
where: short stacking energy: -16.887
Base-Backbone interact. energy: -0.118
local terms energy: -52.391441
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -81.555426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.555426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.555426 (E_RNA)
where:
Base-Base interactions energy: -34.443
where: short stacking energy: -22.984
Base-Backbone interact. energy: -0.283
local terms energy: -46.828978
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: 0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -65.739804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.739804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.739804 (E_RNA)
where:
Base-Base interactions energy: -21.191
where: short stacking energy: -16.520
Base-Backbone interact. energy: -0.140
local terms energy: -44.408645
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -7.359
flat angles P-C4'-P energy: -10.648
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: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -211.655942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.655942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.655942 (E_RNA)
where:
Base-Base interactions energy: -139.974
where: short stacking energy: -65.965
Base-Backbone interact. energy: -0.009
local terms energy: -71.672789
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -17.759
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: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -203.338017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.338017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.338017 (E_RNA)
where:
Base-Base interactions energy: -130.795
where: short stacking energy: -58.366
Base-Backbone interact. energy: -0.001
local terms energy: -72.542724
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -21.295
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: 3, replica: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -165.077190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.077190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.077190 (E_RNA)
where:
Base-Base interactions energy: -97.626
where: short stacking energy: -63.297
Base-Backbone interact. energy: -0.022
local terms energy: -67.429290
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -14.487
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: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -151.206936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.206936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.206936 (E_RNA)
where:
Base-Base interactions energy: -87.018
where: short stacking energy: -47.999
Base-Backbone interact. energy: -0.003
local terms energy: -64.185416
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -13.965
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: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -165.108071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.108071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.108071 (E_RNA)
where:
Base-Base interactions energy: -97.913
where: short stacking energy: -47.925
Base-Backbone interact. energy: -1.577
local terms energy: -65.618053
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -102.647463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.647463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.647463 (E_RNA)
where:
Base-Base interactions energy: -51.153
where: short stacking energy: -37.081
Base-Backbone interact. energy: -0.284
local terms energy: -51.210561
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -99.702698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.702698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.702698 (E_RNA)
where:
Base-Base interactions energy: -43.162
where: short stacking energy: -43.162
Base-Backbone interact. energy: -0.228
local terms energy: -56.313110
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -11.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -80.979489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.979489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.979489 (E_RNA)
where:
Base-Base interactions energy: -30.141
where: short stacking energy: -25.099
Base-Backbone interact. energy: -0.194
local terms energy: -50.645015
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -9.300
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -73.219936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.219936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.219936 (E_RNA)
where:
Base-Base interactions energy: -25.987
where: short stacking energy: -16.686
Base-Backbone interact. energy: -0.103
local terms energy: -47.130086
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -4.378
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: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -68.532430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.532430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.532430 (E_RNA)
where:
Base-Base interactions energy: -22.019
where: short stacking energy: -21.438
Base-Backbone interact. energy: -0.287
local terms energy: -46.226442
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -8.258
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -206.858869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.858869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.858869 (E_RNA)
where:
Base-Base interactions energy: -139.147
where: short stacking energy: -64.502
Base-Backbone interact. energy: 0.180
local terms energy: -67.891329
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -18.397
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: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -201.341604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.341604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.341604 (E_RNA)
where:
Base-Base interactions energy: -133.322
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.001
local terms energy: -68.017960
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -19.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -159.491617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.491617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.491617 (E_RNA)
where:
Base-Base interactions energy: -95.846
where: short stacking energy: -57.169
Base-Backbone interact. energy: -0.145
local terms energy: -63.500054
where:
bonds (distance) C4'-P energy: -7.563
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -13.665
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: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -137.131523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.131523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.131523 (E_RNA)
where:
Base-Base interactions energy: -76.516
where: short stacking energy: -44.660
Base-Backbone interact. energy: -0.049
local terms energy: -60.566122
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -156.621763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.621763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.621763 (E_RNA)
where:
Base-Base interactions energy: -102.271
where: short stacking energy: -44.824
Base-Backbone interact. energy: -0.180
local terms energy: -54.171071
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -9.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -126.424699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.424699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.424699 (E_RNA)
where:
Base-Base interactions energy: -70.827
where: short stacking energy: -41.043
Base-Backbone interact. energy: -0.154
local terms energy: -55.442859
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -9.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -80.687286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.687286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.687286 (E_RNA)
where:
Base-Base interactions energy: -35.008
where: short stacking energy: -19.625
Base-Backbone interact. energy: -0.583
local terms energy: -45.096593
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: 1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -83.793820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.793820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.793820 (E_RNA)
where:
Base-Base interactions energy: -38.898
where: short stacking energy: -27.542
Base-Backbone interact. energy: -0.202
local terms energy: -44.693544
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -7.266
flat angles P-C4'-P energy: -4.806
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: 9, replica: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -83.960178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.960178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.960178 (E_RNA)
where:
Base-Base interactions energy: -44.185
where: short stacking energy: -28.933
Base-Backbone interact. energy: -0.083
local terms energy: -39.692275
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: 1.334
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: 10, replica: 2
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -82.669938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.669938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.669938 (E_RNA)
where:
Base-Base interactions energy: -37.344
where: short stacking energy: -14.098
Base-Backbone interact. energy: -0.169
local terms energy: -45.157044
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -5.869
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: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -205.820192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.820192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.820192 (E_RNA)
where:
Base-Base interactions energy: -136.040
where: short stacking energy: -61.374
Base-Backbone interact. energy: -0.002
local terms energy: -69.778511
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -212.423973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.423973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.423973 (E_RNA)
where:
Base-Base interactions energy: -140.896
where: short stacking energy: -62.175
Base-Backbone interact. energy: -0.052
local terms energy: -71.475484
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -156.854561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.854561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.854561 (E_RNA)
where:
Base-Base interactions energy: -88.833
where: short stacking energy: -56.123
Base-Backbone interact. energy: -0.010
local terms energy: -68.012084
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -171.449348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.449348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.449348 (E_RNA)
where:
Base-Base interactions energy: -107.461
where: short stacking energy: -52.434
Base-Backbone interact. energy: -0.048
local terms energy: -63.940312
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -13.894
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: 331
Temperature: 1.100000
Total energy: -110.030145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.030145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.030145 (E_RNA)
where:
Base-Base interactions energy: -56.205
where: short stacking energy: -40.913
Base-Backbone interact. energy: -0.038
local terms energy: -53.787201
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -9.331
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: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -93.778147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.778147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.778147 (E_RNA)
where:
Base-Base interactions energy: -48.172
where: short stacking energy: -25.507
Base-Backbone interact. energy: -0.204
local terms energy: -45.401704
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -5.073
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: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -99.088709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.088709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.088709 (E_RNA)
where:
Base-Base interactions energy: -58.471
where: short stacking energy: -31.897
Base-Backbone interact. energy: 0.415
local terms energy: -41.032825
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -8.840
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -92.891992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.891992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.891992 (E_RNA)
where:
Base-Base interactions energy: -33.733
where: short stacking energy: -29.815
Base-Backbone interact. energy: 0.430
local terms energy: -59.589533
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -11.150
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: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -78.541383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.541383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.541383 (E_RNA)
where:
Base-Base interactions energy: -30.843
where: short stacking energy: -30.674
Base-Backbone interact. energy: -0.038
local terms energy: -47.660531
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: 2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -71.463233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.463233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.463233 (E_RNA)
where:
Base-Base interactions energy: -28.731
where: short stacking energy: -24.671
Base-Backbone interact. energy: -0.197
local terms energy: -42.535427
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -8.269
flat angles P-C4'-P energy: -2.609
tors. eta vs tors. theta energy: -6.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -214.725408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.725408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.725408 (E_RNA)
where:
Base-Base interactions energy: -147.028
where: short stacking energy: -62.879
Base-Backbone interact. energy: 1.371
local terms energy: -69.068607
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -195.380775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.380775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.380775 (E_RNA)
where:
Base-Base interactions energy: -126.502
where: short stacking energy: -59.974
Base-Backbone interact. energy: -0.112
local terms energy: -68.766998
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -179.453297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.453297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.453297 (E_RNA)
where:
Base-Base interactions energy: -115.174
where: short stacking energy: -46.551
Base-Backbone interact. energy: -0.410
local terms energy: -63.869341
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -16.168
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: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -136.133210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.133210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.133210 (E_RNA)
where:
Base-Base interactions energy: -79.828
where: short stacking energy: -41.082
Base-Backbone interact. energy: -0.010
local terms energy: -56.295191
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -10.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -92.820225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.820225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.820225 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -34.933
Base-Backbone interact. energy: -0.165
local terms energy: -57.722268
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -94.482677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.482677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.482677 (E_RNA)
where:
Base-Base interactions energy: -37.971
where: short stacking energy: -22.863
Base-Backbone interact. energy: -0.148
local terms energy: -56.364049
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -8.483
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: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -99.614235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.614235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.614235 (E_RNA)
where:
Base-Base interactions energy: -47.946
where: short stacking energy: -34.074
Base-Backbone interact. energy: -1.733
local terms energy: -49.935956
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -2.829
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: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -87.484203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.484203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.484203 (E_RNA)
where:
Base-Base interactions energy: -36.560
where: short stacking energy: -36.560
Base-Backbone interact. energy: -0.004
local terms energy: -50.920357
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -8.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -72.700785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.700785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.700785 (E_RNA)
where:
Base-Base interactions energy: -29.895
where: short stacking energy: -27.989
Base-Backbone interact. energy: -0.209
local terms energy: -42.597248
where:
bonds (distance) C4'-P energy: -7.062
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -87.296804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.296804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.296804 (E_RNA)
where:
Base-Base interactions energy: -32.914
where: short stacking energy: -30.908
Base-Backbone interact. energy: -0.033
local terms energy: -54.349760
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -204.122150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.122150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.122150 (E_RNA)
where:
Base-Base interactions energy: -132.453
where: short stacking energy: -59.215
Base-Backbone interact. energy: -0.003
local terms energy: -71.666252
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -16.527
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: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -200.304429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.304429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.304429 (E_RNA)
where:
Base-Base interactions energy: -128.966
where: short stacking energy: -60.098
Base-Backbone interact. energy: -0.372
local terms energy: -70.966111
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -179.077228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.077228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.077228 (E_RNA)
where:
Base-Base interactions energy: -108.787
where: short stacking energy: -54.204
Base-Backbone interact. energy: -0.005
local terms energy: -70.285155
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -91.629802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.629802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.629802 (E_RNA)
where:
Base-Base interactions energy: -31.757
where: short stacking energy: -28.731
Base-Backbone interact. energy: -0.018
local terms energy: -59.854989
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -113.120921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.120921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.120921 (E_RNA)
where:
Base-Base interactions energy: -57.525
where: short stacking energy: -39.163
Base-Backbone interact. energy: -0.137
local terms energy: -55.459227
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -6.220
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: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -81.578594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.578594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.578594 (E_RNA)
where:
Base-Base interactions energy: -27.196
where: short stacking energy: -23.840
Base-Backbone interact. energy: -0.479
local terms energy: -53.904318
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -95.543279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.543279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.543279 (E_RNA)
where:
Base-Base interactions energy: -43.858
where: short stacking energy: -30.599
Base-Backbone interact. energy: -0.024
local terms energy: -51.660854
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -6.797
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: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -82.712204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.712204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.712204 (E_RNA)
where:
Base-Base interactions energy: -33.977
where: short stacking energy: -19.600
Base-Backbone interact. energy: -0.046
local terms energy: -48.688681
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -7.813
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -3.065
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: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -94.177127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.177127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.177127 (E_RNA)
where:
Base-Base interactions energy: -39.384
where: short stacking energy: -37.395
Base-Backbone interact. energy: 0.448
local terms energy: -55.241601
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -7.424
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: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -71.726674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.726674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.726674 (E_RNA)
where:
Base-Base interactions energy: -26.873
where: short stacking energy: -25.553
Base-Backbone interact. energy: -0.110
local terms energy: -44.743021
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -9.868
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -211.563290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.563290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.563290 (E_RNA)
where:
Base-Base interactions energy: -140.236
where: short stacking energy: -66.570
Base-Backbone interact. energy: -0.001
local terms energy: -71.327101
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -205.387271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.387271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.387271 (E_RNA)
where:
Base-Base interactions energy: -135.033
where: short stacking energy: -62.103
Base-Backbone interact. energy: -0.004
local terms energy: -70.350456
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -19.489
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: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -178.668198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.668198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.668198 (E_RNA)
where:
Base-Base interactions energy: -118.712
where: short stacking energy: -48.510
Base-Backbone interact. energy: -0.047
local terms energy: -59.909227
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -12.376
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: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -99.507747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.507747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.507747 (E_RNA)
where:
Base-Base interactions energy: -38.204
where: short stacking energy: -38.204
Base-Backbone interact. energy: -0.096
local terms energy: -61.207834
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -9.066
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -114.277319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.277319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.277319 (E_RNA)
where:
Base-Base interactions energy: -52.229
where: short stacking energy: -52.229
Base-Backbone interact. energy: -0.002
local terms energy: -62.046938
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -13.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -107.741102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.741102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.741102 (E_RNA)
where:
Base-Base interactions energy: -45.379
where: short stacking energy: -43.417
Base-Backbone interact. energy: -0.048
local terms energy: -62.314011
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -83.176029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.176029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.176029 (E_RNA)
where:
Base-Base interactions energy: -33.059
where: short stacking energy: -31.004
Base-Backbone interact. energy: -0.469
local terms energy: -49.648161
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -3.610
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: 8, replica: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -88.167014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.167014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.167014 (E_RNA)
where:
Base-Base interactions energy: -33.033
where: short stacking energy: -30.736
Base-Backbone interact. energy: -0.284
local terms energy: -54.849893
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -79.163925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.163925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.163925 (E_RNA)
where:
Base-Base interactions energy: -33.494
where: short stacking energy: -29.741
Base-Backbone interact. energy: -0.046
local terms energy: -45.623745
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -6.197
flat angles P-C4'-P energy: -6.475
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: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -78.272210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.272210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.272210 (E_RNA)
where:
Base-Base interactions energy: -31.941
where: short stacking energy: -31.941
Base-Backbone interact. energy: 1.192
local terms energy: -47.522931
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -215.335794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.335794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.335794 (E_RNA)
where:
Base-Base interactions energy: -142.070
where: short stacking energy: -64.117
Base-Backbone interact. energy: -0.241
local terms energy: -73.024985
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -195.596860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.596860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.596860 (E_RNA)
where:
Base-Base interactions energy: -136.440
where: short stacking energy: -54.530
Base-Backbone interact. energy: -0.214
local terms energy: -58.942710
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -170.975792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.975792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.975792 (E_RNA)
where:
Base-Base interactions energy: -120.736
where: short stacking energy: -47.200
Base-Backbone interact. energy: 0.496
local terms energy: -50.735607
where:
bonds (distance) C4'-P energy: -9.203
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -155.585514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.585514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.585514 (E_RNA)
where:
Base-Base interactions energy: -96.602
where: short stacking energy: -52.559
Base-Backbone interact. energy: -0.639
local terms energy: -58.344617
where:
bonds (distance) C4'-P energy: -6.771
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -103.023883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.023883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.023883 (E_RNA)
where:
Base-Base interactions energy: -46.929
where: short stacking energy: -46.287
Base-Backbone interact. energy: -0.003
local terms energy: -56.092438
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -11.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -92.679062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.679062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.679062 (E_RNA)
where:
Base-Base interactions energy: -43.880
where: short stacking energy: -35.948
Base-Backbone interact. energy: -0.005
local terms energy: -48.794671
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -5.618
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -99.075970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.075970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.075970 (E_RNA)
where:
Base-Base interactions energy: -54.118
where: short stacking energy: -32.029
Base-Backbone interact. energy: -0.398
local terms energy: -44.560396
where:
bonds (distance) C4'-P energy: -8.986
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -82.759165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.759165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.759165 (E_RNA)
where:
Base-Base interactions energy: -32.017
where: short stacking energy: -32.017
Base-Backbone interact. energy: 0.252
local terms energy: -50.994895
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -83.954816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.954816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.954816 (E_RNA)
where:
Base-Base interactions energy: -32.831
where: short stacking energy: -32.831
Base-Backbone interact. energy: -0.119
local terms energy: -51.004937
where:
bonds (distance) C4'-P energy: -8.121
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -9.095
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: 10, replica: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -69.171605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.171605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.171605 (E_RNA)
where:
Base-Base interactions energy: -29.630
where: short stacking energy: -29.093
Base-Backbone interact. energy: 0.018
local terms energy: -39.559737
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -10.392
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -3.529
tors. eta vs tors. theta energy: -5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -209.815906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.815906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.815906 (E_RNA)
where:
Base-Base interactions energy: -134.487
where: short stacking energy: -55.121
Base-Backbone interact. energy: -0.742
local terms energy: -74.586956
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -196.620276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.620276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.620276 (E_RNA)
where:
Base-Base interactions energy: -127.577
where: short stacking energy: -64.575
Base-Backbone interact. energy: -0.091
local terms energy: -68.952189
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -177.604705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.604705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.604705 (E_RNA)
where:
Base-Base interactions energy: -107.343
where: short stacking energy: -54.704
Base-Backbone interact. energy: -0.296
local terms energy: -69.965422
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -157.889167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.889167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.889167 (E_RNA)
where:
Base-Base interactions energy: -107.163
where: short stacking energy: -34.206
Base-Backbone interact. energy: 1.380
local terms energy: -52.106192
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -94.727942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.727942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.727942 (E_RNA)
where:
Base-Base interactions energy: -45.057
where: short stacking energy: -24.990
Base-Backbone interact. energy: 0.101
local terms energy: -49.772453
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -91.291515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.291515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.291515 (E_RNA)
where:
Base-Base interactions energy: -36.735
where: short stacking energy: -29.204
Base-Backbone interact. energy: -0.407
local terms energy: -54.149105
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -4.487
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: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -91.396733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.396733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.396733 (E_RNA)
where:
Base-Base interactions energy: -32.219
where: short stacking energy: -31.431
Base-Backbone interact. energy: -0.011
local terms energy: -59.167134
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -9.977
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: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -94.488444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.488444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.488444 (E_RNA)
where:
Base-Base interactions energy: -46.106
where: short stacking energy: -39.077
Base-Backbone interact. energy: -0.002
local terms energy: -48.380014
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -77.212285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.212285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.212285 (E_RNA)
where:
Base-Base interactions energy: -20.777
where: short stacking energy: -18.509
Base-Backbone interact. energy: -0.166
local terms energy: -56.269479
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -71.090832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.090832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.090832 (E_RNA)
where:
Base-Base interactions energy: -24.507
where: short stacking energy: -16.875
Base-Backbone interact. energy: -0.393
local terms energy: -46.190787
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -11.096
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: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -203.817237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.817237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.817237 (E_RNA)
where:
Base-Base interactions energy: -127.607
where: short stacking energy: -61.582
Base-Backbone interact. energy: -0.067
local terms energy: -76.143406
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -20.082
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: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -190.733582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.733582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.733582 (E_RNA)
where:
Base-Base interactions energy: -119.215
where: short stacking energy: -56.549
Base-Backbone interact. energy: -0.032
local terms energy: -71.486709
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -202.775416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.775416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.775416 (E_RNA)
where:
Base-Base interactions energy: -137.557
where: short stacking energy: -56.020
Base-Backbone interact. energy: -0.230
local terms energy: -64.988221
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -165.176823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.176823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.176823 (E_RNA)
where:
Base-Base interactions energy: -103.743
where: short stacking energy: -36.673
Base-Backbone interact. energy: -0.882
local terms energy: -60.551233
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -6.791
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: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -97.961907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.961907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.961907 (E_RNA)
where:
Base-Base interactions energy: -49.686
where: short stacking energy: -31.898
Base-Backbone interact. energy: -0.171
local terms energy: -48.105625
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -132.030732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.030732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.030732 (E_RNA)
where:
Base-Base interactions energy: -76.908
where: short stacking energy: -42.242
Base-Backbone interact. energy: -0.073
local terms energy: -55.049320
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -88.992326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.992326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.992326 (E_RNA)
where:
Base-Base interactions energy: -44.618
where: short stacking energy: -38.397
Base-Backbone interact. energy: -0.111
local terms energy: -44.263351
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -9.988
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -79.181642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.181642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.181642 (E_RNA)
where:
Base-Base interactions energy: -27.024
where: short stacking energy: -25.722
Base-Backbone interact. energy: -0.177
local terms energy: -51.980688
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -81.262140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.262140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.262140 (E_RNA)
where:
Base-Base interactions energy: -36.120
where: short stacking energy: -36.120
Base-Backbone interact. energy: -0.143
local terms energy: -44.999632
where:
bonds (distance) C4'-P energy: -8.176
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -7.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -71.469004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.469004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.469004 (E_RNA)
where:
Base-Base interactions energy: -30.196
where: short stacking energy: -30.196
Base-Backbone interact. energy: 1.078
local terms energy: -42.350924
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -6.858
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: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -218.560133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.560133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.560133 (E_RNA)
where:
Base-Base interactions energy: -142.335
where: short stacking energy: -63.863
Base-Backbone interact. energy: 0.471
local terms energy: -76.695293
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -203.799911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.799911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.799911 (E_RNA)
where:
Base-Base interactions energy: -135.541
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.277
local terms energy: -67.982072
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -16.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -198.486381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.486381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.486381 (E_RNA)
where:
Base-Base interactions energy: -128.066
where: short stacking energy: -58.250
Base-Backbone interact. energy: -0.108
local terms energy: -70.312338
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -18.039
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: 4, replica: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -146.183389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.183389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.183389 (E_RNA)
where:
Base-Base interactions energy: -79.928
where: short stacking energy: -35.155
Base-Backbone interact. energy: -0.005
local terms energy: -66.250038
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -7.275
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: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -153.175195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.175195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.175195 (E_RNA)
where:
Base-Base interactions energy: -89.442
where: short stacking energy: -45.869
Base-Backbone interact. energy: 0.320
local terms energy: -64.053177
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -4.358
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -86.594109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.594109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.594109 (E_RNA)
where:
Base-Base interactions energy: -33.927
where: short stacking energy: -33.927
Base-Backbone interact. energy: -0.186
local terms energy: -52.481236
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -88.433973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.433973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.433973 (E_RNA)
where:
Base-Base interactions energy: -39.401
where: short stacking energy: -17.007
Base-Backbone interact. energy: -0.168
local terms energy: -48.865277
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -7.488
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: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -102.158633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.158633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.158633 (E_RNA)
where:
Base-Base interactions energy: -55.766
where: short stacking energy: -24.972
Base-Backbone interact. energy: -0.207
local terms energy: -46.186460
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -1.092
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: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -79.673609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.673609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.673609 (E_RNA)
where:
Base-Base interactions energy: -34.063
where: short stacking energy: -32.631
Base-Backbone interact. energy: -0.111
local terms energy: -45.499453
where:
bonds (distance) C4'-P energy: -8.544
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -6.856
flat angles P-C4'-P energy: -10.184
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: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -79.792924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.792924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.792924 (E_RNA)
where:
Base-Base interactions energy: -30.407
where: short stacking energy: -30.132
Base-Backbone interact. energy: -0.074
local terms energy: -49.311756
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -1.363
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -214.579117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.579117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.579117 (E_RNA)
where:
Base-Base interactions energy: -134.527
where: short stacking energy: -60.565
Base-Backbone interact. energy: -0.004
local terms energy: -80.048424
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -193.637675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.637675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.637675 (E_RNA)
where:
Base-Base interactions energy: -123.609
where: short stacking energy: -59.861
Base-Backbone interact. energy: -0.166
local terms energy: -69.862365
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -15.485
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: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -179.510446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.510446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.510446 (E_RNA)
where:
Base-Base interactions energy: -106.301
where: short stacking energy: -46.995
Base-Backbone interact. energy: -0.003
local terms energy: -73.207064
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -186.214083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.214083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.214083 (E_RNA)
where:
Base-Base interactions energy: -120.380
where: short stacking energy: -54.335
Base-Backbone interact. energy: 1.636
local terms energy: -67.470666
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -14.803
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: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -167.451239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.451239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.451239 (E_RNA)
where:
Base-Base interactions energy: -102.952
where: short stacking energy: -44.461
Base-Backbone interact. energy: -0.078
local terms energy: -64.420948
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -9.222
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: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -97.759545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.759545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.759545 (E_RNA)
where:
Base-Base interactions energy: -46.515
where: short stacking energy: -31.595
Base-Backbone interact. energy: -0.173
local terms energy: -51.072055
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -5.933
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: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -88.761147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.761147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.761147 (E_RNA)
where:
Base-Base interactions energy: -34.226
where: short stacking energy: -32.170
Base-Backbone interact. energy: 1.338
local terms energy: -55.872931
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -99.213413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.213413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.213413 (E_RNA)
where:
Base-Base interactions energy: -42.279
where: short stacking energy: -37.517
Base-Backbone interact. energy: -0.131
local terms energy: -56.803628
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -80.720086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.720086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.720086 (E_RNA)
where:
Base-Base interactions energy: -29.998
where: short stacking energy: -27.359
Base-Backbone interact. energy: -0.505
local terms energy: -50.216973
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -8.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -78.337964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.337964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.337964 (E_RNA)
where:
Base-Base interactions energy: -35.522
where: short stacking energy: -26.700
Base-Backbone interact. energy: 3.666
local terms energy: -46.481713
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -206.775048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.775048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.775048 (E_RNA)
where:
Base-Base interactions energy: -136.210
where: short stacking energy: -59.637
Base-Backbone interact. energy: -0.004
local terms energy: -70.561309
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -198.651162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.651162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.651162 (E_RNA)
where:
Base-Base interactions energy: -132.371
where: short stacking energy: -56.649
Base-Backbone interact. energy: -0.088
local terms energy: -66.192595
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -192.476557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.476557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.476557 (E_RNA)
where:
Base-Base interactions energy: -131.166
where: short stacking energy: -57.589
Base-Backbone interact. energy: -0.002
local terms energy: -61.308637
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -3.169
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -160.796323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.796323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.796323 (E_RNA)
where:
Base-Base interactions energy: -104.019
where: short stacking energy: -48.161
Base-Backbone interact. energy: -0.423
local terms energy: -56.354239
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -13.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -163.329839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.329839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.329839 (E_RNA)
where:
Base-Base interactions energy: -103.573
where: short stacking energy: -44.974
Base-Backbone interact. energy: -0.000
local terms energy: -59.756539
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -94.840751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.840751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.840751 (E_RNA)
where:
Base-Base interactions energy: -43.040
where: short stacking energy: -37.271
Base-Backbone interact. energy: -0.129
local terms energy: -51.671493
where:
bonds (distance) C4'-P energy: -6.780
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -111.820793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.820793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.820793 (E_RNA)
where:
Base-Base interactions energy: -55.558
where: short stacking energy: -31.612
Base-Backbone interact. energy: -0.010
local terms energy: -56.252693
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -8.057
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: 8, replica: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -74.636222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.636222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.636222 (E_RNA)
where:
Base-Base interactions energy: -27.364
where: short stacking energy: -21.033
Base-Backbone interact. energy: -0.137
local terms energy: -47.135491
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -8.812
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: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -84.793694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.793694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.793694 (E_RNA)
where:
Base-Base interactions energy: -30.918
where: short stacking energy: -25.815
Base-Backbone interact. energy: -0.089
local terms energy: -53.786573
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -3.128
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: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -59.577692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.577692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.577692 (E_RNA)
where:
Base-Base interactions energy: -17.144
where: short stacking energy: -17.144
Base-Backbone interact. energy: -0.244
local terms energy: -42.189987
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -3.383
tors. eta vs tors. theta energy: 2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -207.872824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.872824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.872824 (E_RNA)
where:
Base-Base interactions energy: -132.821
where: short stacking energy: -59.556
Base-Backbone interact. energy: -0.674
local terms energy: -74.377958
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -198.011034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.011034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.011034 (E_RNA)
where:
Base-Base interactions energy: -129.002
where: short stacking energy: -60.088
Base-Backbone interact. energy: -0.012
local terms energy: -68.997123
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -204.906080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.906080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.906080 (E_RNA)
where:
Base-Base interactions energy: -139.497
where: short stacking energy: -58.924
Base-Backbone interact. energy: 0.001
local terms energy: -65.409965
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -167.032725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.032725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.032725 (E_RNA)
where:
Base-Base interactions energy: -99.878
where: short stacking energy: -37.872
Base-Backbone interact. energy: -0.004
local terms energy: -67.150937
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -9.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -152.059997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.059997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.059997 (E_RNA)
where:
Base-Base interactions energy: -96.134
where: short stacking energy: -50.442
Base-Backbone interact. energy: -0.052
local terms energy: -55.874217
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -144.954273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.954273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.954273 (E_RNA)
where:
Base-Base interactions energy: -87.291
where: short stacking energy: -37.709
Base-Backbone interact. energy: -0.583
local terms energy: -57.080316
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -10.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -86.442839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.442839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.442839 (E_RNA)
where:
Base-Base interactions energy: -43.549
where: short stacking energy: -19.344
Base-Backbone interact. energy: 0.531
local terms energy: -43.425599
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -6.755
flat angles P-C4'-P energy: -11.691
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: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -80.708350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.708350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.708350 (E_RNA)
where:
Base-Base interactions energy: -31.085
where: short stacking energy: -17.304
Base-Backbone interact. energy: -0.199
local terms energy: -49.424961
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -9.161
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: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -71.913551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.913551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.913551 (E_RNA)
where:
Base-Base interactions energy: -25.930
where: short stacking energy: -25.930
Base-Backbone interact. energy: -0.105
local terms energy: -45.879020
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -8.957
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: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -80.809145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.809145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.809145 (E_RNA)
where:
Base-Base interactions energy: -34.158
where: short stacking energy: -26.277
Base-Backbone interact. energy: -0.276
local terms energy: -46.375219
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -207.666697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.666697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.666697 (E_RNA)
where:
Base-Base interactions energy: -132.830
where: short stacking energy: -65.479
Base-Backbone interact. energy: -0.014
local terms energy: -74.822140
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -17.264
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: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -199.462390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.462390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.462390 (E_RNA)
where:
Base-Base interactions energy: -129.686
where: short stacking energy: -64.309
Base-Backbone interact. energy: -0.001
local terms energy: -69.775343
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -6.670
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: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -210.508201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.508201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.508201 (E_RNA)
where:
Base-Base interactions energy: -138.562
where: short stacking energy: -62.986
Base-Backbone interact. energy: -0.400
local terms energy: -71.545666
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -174.249617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.249617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.249617 (E_RNA)
where:
Base-Base interactions energy: -112.156
where: short stacking energy: -48.737
Base-Backbone interact. energy: -0.703
local terms energy: -61.390827
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -165.013833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.013833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.013833 (E_RNA)
where:
Base-Base interactions energy: -101.621
where: short stacking energy: -39.119
Base-Backbone interact. energy: -0.154
local terms energy: -63.239098
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -138.358072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.358072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.358072 (E_RNA)
where:
Base-Base interactions energy: -73.741
where: short stacking energy: -32.263
Base-Backbone interact. energy: -0.069
local terms energy: -64.547733
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -8.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -84.288715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.288715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.288715 (E_RNA)
where:
Base-Base interactions energy: -26.072
where: short stacking energy: -24.666
Base-Backbone interact. energy: -0.119
local terms energy: -58.098364
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -3.721
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: 342
Temperature: 1.250000
Total energy: -84.500270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.500270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.500270 (E_RNA)
where:
Base-Base interactions energy: -33.639
where: short stacking energy: -25.737
Base-Backbone interact. energy: -0.932
local terms energy: -49.929785
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -4.436
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: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -80.458841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.458841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.458841 (E_RNA)
where:
Base-Base interactions energy: -30.970
where: short stacking energy: -30.970
Base-Backbone interact. energy: -0.077
local terms energy: -49.411845
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -12.630
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: 342
Temperature: 1.350000
Total energy: -67.124775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.124775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.124775 (E_RNA)
where:
Base-Base interactions energy: -25.402
where: short stacking energy: -12.506
Base-Backbone interact. energy: -0.492
local terms energy: -41.230293
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: 4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -200.072457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.072457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.072457 (E_RNA)
where:
Base-Base interactions energy: -126.191
where: short stacking energy: -60.769
Base-Backbone interact. energy: -0.309
local terms energy: -73.572453
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -16.081
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: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -207.460834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.460834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.460834 (E_RNA)
where:
Base-Base interactions energy: -132.464
where: short stacking energy: -63.140
Base-Backbone interact. energy: -0.185
local terms energy: -74.811456
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -21.236
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: 343
Temperature: 1.000000
Total energy: -185.708027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.708027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.708027 (E_RNA)
where:
Base-Base interactions energy: -128.617
where: short stacking energy: -49.959
Base-Backbone interact. energy: -0.049
local terms energy: -57.042310
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -165.616570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.616570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.616570 (E_RNA)
where:
Base-Base interactions energy: -97.686
where: short stacking energy: -45.277
Base-Backbone interact. energy: -0.200
local terms energy: -67.731065
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -156.750442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.750442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.750442 (E_RNA)
where:
Base-Base interactions energy: -96.302
where: short stacking energy: -42.011
Base-Backbone interact. energy: 1.478
local terms energy: -61.925804
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -10.649
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: 6, replica: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -152.472699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.472699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.472699 (E_RNA)
where:
Base-Base interactions energy: -88.139
where: short stacking energy: -38.898
Base-Backbone interact. energy: -0.124
local terms energy: -64.208918
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -15.935
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: 7, replica: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -89.073880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.073880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.073880 (E_RNA)
where:
Base-Base interactions energy: -38.377
where: short stacking energy: -26.172
Base-Backbone interact. energy: 0.437
local terms energy: -51.134025
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -3.836
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: 343
Temperature: 1.250000
Total energy: -77.274118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.274118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.274118 (E_RNA)
where:
Base-Base interactions energy: -23.908
where: short stacking energy: -23.908
Base-Backbone interact. energy: -0.006
local terms energy: -53.359888
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -91.558321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.558321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.558321 (E_RNA)
where:
Base-Base interactions energy: -39.013
where: short stacking energy: -28.813
Base-Backbone interact. energy: -0.844
local terms energy: -51.700978
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -6.226
flat angles P-C4'-P energy: -9.658
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: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -73.760330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.760330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.760330 (E_RNA)
where:
Base-Base interactions energy: -25.063
where: short stacking energy: -25.063
Base-Backbone interact. energy: -0.192
local terms energy: -48.504890
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -206.499425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.499425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.499425 (E_RNA)
where:
Base-Base interactions energy: -131.808
where: short stacking energy: -61.617
Base-Backbone interact. energy: -0.000
local terms energy: -74.690815
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -204.265545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.265545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.265545 (E_RNA)
where:
Base-Base interactions energy: -128.907
where: short stacking energy: -60.980
Base-Backbone interact. energy: -0.007
local terms energy: -75.350896
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -188.333201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.333201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.333201 (E_RNA)
where:
Base-Base interactions energy: -123.451
where: short stacking energy: -50.440
Base-Backbone interact. energy: 0.274
local terms energy: -65.155994
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -153.129015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.129015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.129015 (E_RNA)
where:
Base-Base interactions energy: -102.027
where: short stacking energy: -40.728
Base-Backbone interact. energy: -0.199
local terms energy: -50.903214
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -6.594
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: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -163.858886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.858886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.858886 (E_RNA)
where:
Base-Base interactions energy: -101.732
where: short stacking energy: -47.846
Base-Backbone interact. energy: -0.140
local terms energy: -61.986427
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -144.866055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.866055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.866055 (E_RNA)
where:
Base-Base interactions energy: -88.184
where: short stacking energy: -46.684
Base-Backbone interact. energy: -0.013
local terms energy: -56.669277
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -75.698042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.698042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.698042 (E_RNA)
where:
Base-Base interactions energy: -28.142
where: short stacking energy: -24.572
Base-Backbone interact. energy: 0.712
local terms energy: -48.268241
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -8.223
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: 344
Temperature: 1.250000
Total energy: -95.907565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.907565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.907565 (E_RNA)
where:
Base-Base interactions energy: -38.504
where: short stacking energy: -37.355
Base-Backbone interact. energy: -0.195
local terms energy: -57.208848
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -8.514
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: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -78.433470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.433470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.433470 (E_RNA)
where:
Base-Base interactions energy: -31.038
where: short stacking energy: -25.372
Base-Backbone interact. energy: -0.115
local terms energy: -47.280833
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: 1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -74.312534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.312534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.312534 (E_RNA)
where:
Base-Base interactions energy: -39.807
where: short stacking energy: -20.996
Base-Backbone interact. energy: -1.287
local terms energy: -33.218352
where:
bonds (distance) C4'-P energy: -6.714
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -8.404
flat angles P-C4'-P energy: -6.181
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: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -214.028884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.028884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.028884 (E_RNA)
where:
Base-Base interactions energy: -143.420
where: short stacking energy: -64.290
Base-Backbone interact. energy: -0.099
local terms energy: -70.510155
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -190.728242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.728242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.728242 (E_RNA)
where:
Base-Base interactions energy: -123.193
where: short stacking energy: -56.553
Base-Backbone interact. energy: -0.000
local terms energy: -67.534984
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -195.820175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.820175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.820175 (E_RNA)
where:
Base-Base interactions energy: -124.274
where: short stacking energy: -53.648
Base-Backbone interact. energy: -0.087
local terms energy: -71.459301
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -153.007228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.007228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.007228 (E_RNA)
where:
Base-Base interactions energy: -94.209
where: short stacking energy: -44.708
Base-Backbone interact. energy: -0.177
local terms energy: -58.621232
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -163.271369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.271369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.271369 (E_RNA)
where:
Base-Base interactions energy: -95.822
where: short stacking energy: -38.544
Base-Backbone interact. energy: -0.015
local terms energy: -67.433987
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -12.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -152.603298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.603298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.603298 (E_RNA)
where:
Base-Base interactions energy: -87.115
where: short stacking energy: -44.588
Base-Backbone interact. energy: -0.053
local terms energy: -65.435723
where:
bonds (distance) C4'-P energy: -8.274
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -15.206
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: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -98.754021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.754021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.754021 (E_RNA)
where:
Base-Base interactions energy: -42.450
where: short stacking energy: -35.007
Base-Backbone interact. energy: -0.514
local terms energy: -55.789901
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -101.436071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.436071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.436071 (E_RNA)
where:
Base-Base interactions energy: -63.503
where: short stacking energy: -26.167
Base-Backbone interact. energy: -0.211
local terms energy: -37.722517
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -5.620
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -2.398
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: 345
Temperature: 1.300000
Total energy: -80.965974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.965974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.965974 (E_RNA)
where:
Base-Base interactions energy: -31.269
where: short stacking energy: -25.786
Base-Backbone interact. energy: -0.126
local terms energy: -49.571119
where:
bonds (distance) C4'-P energy: -8.026
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -70.835578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.835578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.835578 (E_RNA)
where:
Base-Base interactions energy: -30.766
where: short stacking energy: -11.864
Base-Backbone interact. energy: -0.083
local terms energy: -39.986316
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -7.856
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: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -192.141058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.141058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.141058 (E_RNA)
where:
Base-Base interactions energy: -125.485
where: short stacking energy: -61.675
Base-Backbone interact. energy: -0.018
local terms energy: -66.638381
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -194.413038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.413038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.413038 (E_RNA)
where:
Base-Base interactions energy: -122.296
where: short stacking energy: -58.496
Base-Backbone interact. energy: -0.712
local terms energy: -71.405357
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -196.153954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.153954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.153954 (E_RNA)
where:
Base-Base interactions energy: -134.692
where: short stacking energy: -58.505
Base-Backbone interact. energy: -0.003
local terms energy: -61.458648
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -163.029016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.029016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.029016 (E_RNA)
where:
Base-Base interactions energy: -98.244
where: short stacking energy: -37.204
Base-Backbone interact. energy: -0.047
local terms energy: -64.737897
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -13.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -148.388398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.388398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.388398 (E_RNA)
where:
Base-Base interactions energy: -98.229
where: short stacking energy: -44.912
Base-Backbone interact. energy: 0.428
local terms energy: -50.588072
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -10.300
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -7.789
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: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -162.042766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.042766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.042766 (E_RNA)
where:
Base-Base interactions energy: -99.633
where: short stacking energy: -41.729
Base-Backbone interact. energy: -0.074
local terms energy: -62.335553
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -10.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -99.495963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.495963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.495963 (E_RNA)
where:
Base-Base interactions energy: -54.468
where: short stacking energy: -31.772
Base-Backbone interact. energy: -0.224
local terms energy: -44.803743
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -7.983
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -84.018394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.018394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.018394 (E_RNA)
where:
Base-Base interactions energy: -33.154
where: short stacking energy: -32.680
Base-Backbone interact. energy: -0.068
local terms energy: -50.795852
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -7.502
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -86.285329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.285329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.285329 (E_RNA)
where:
Base-Base interactions energy: -37.300
where: short stacking energy: -29.893
Base-Backbone interact. energy: -0.242
local terms energy: -48.743187
where:
bonds (distance) C4'-P energy: -8.969
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -6.403
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: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -71.352577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.352577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.352577 (E_RNA)
where:
Base-Base interactions energy: -28.413
where: short stacking energy: -26.861
Base-Backbone interact. energy: -0.005
local terms energy: -42.934407
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -4.357
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: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -199.965393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.965393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.965393 (E_RNA)
where:
Base-Base interactions energy: -134.971
where: short stacking energy: -57.865
Base-Backbone interact. energy: -0.010
local terms energy: -64.983735
where:
bonds (distance) C4'-P energy: -9.944
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -14.703
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: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -195.829093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.829093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.829093 (E_RNA)
where:
Base-Base interactions energy: -129.784
where: short stacking energy: -59.841
Base-Backbone interact. energy: -0.065
local terms energy: -65.980355
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -186.421061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.421061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.421061 (E_RNA)
where:
Base-Base interactions energy: -127.476
where: short stacking energy: -59.389
Base-Backbone interact. energy: -0.102
local terms energy: -58.842682
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -15.513
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: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -152.547442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.547442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.547442 (E_RNA)
where:
Base-Base interactions energy: -91.215
where: short stacking energy: -49.061
Base-Backbone interact. energy: -0.006
local terms energy: -61.326314
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -9.487
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: 347
Temperature: 1.100000
Total energy: -157.531021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.531021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.531021 (E_RNA)
where:
Base-Base interactions energy: -98.142
where: short stacking energy: -48.185
Base-Backbone interact. energy: -0.139
local terms energy: -59.250172
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -1.506
tors. eta vs tors. theta energy: -10.854
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: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -143.323808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.323808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.323808 (E_RNA)
where:
Base-Base interactions energy: -88.128
where: short stacking energy: -32.962
Base-Backbone interact. energy: -0.370
local terms energy: -54.825934
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -9.067
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -7.590
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: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -80.809521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.809521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.809521 (E_RNA)
where:
Base-Base interactions energy: -36.477
where: short stacking energy: -25.309
Base-Backbone interact. energy: -1.942
local terms energy: -42.389923
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -8.479
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: 8, replica: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -82.741034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.741034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.741034 (E_RNA)
where:
Base-Base interactions energy: -33.792
where: short stacking energy: -33.792
Base-Backbone interact. energy: 0.223
local terms energy: -49.172155
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -6.706
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: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -78.833398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.833398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.833398 (E_RNA)
where:
Base-Base interactions energy: -32.923
where: short stacking energy: -30.429
Base-Backbone interact. energy: -0.185
local terms energy: -45.725564
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -3.327
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: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -69.640513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.640513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.640513 (E_RNA)
where:
Base-Base interactions energy: -29.808
where: short stacking energy: -19.923
Base-Backbone interact. energy: 2.743
local terms energy: -42.575906
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: 1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -209.264817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.264817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.264817 (E_RNA)
where:
Base-Base interactions energy: -141.491
where: short stacking energy: -59.843
Base-Backbone interact. energy: -0.011
local terms energy: -67.762233
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -19.994
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: 348
Temperature: 0.950000
Total energy: -205.719527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.719527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.719527 (E_RNA)
where:
Base-Base interactions energy: -140.509
where: short stacking energy: -60.712
Base-Backbone interact. energy: 1.974
local terms energy: -67.184114
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -4.600
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -176.140436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.140436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.140436 (E_RNA)
where:
Base-Base interactions energy: -107.975
where: short stacking energy: -42.705
Base-Backbone interact. energy: -0.117
local terms energy: -68.047920
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -165.278016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.278016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.278016 (E_RNA)
where:
Base-Base interactions energy: -102.606
where: short stacking energy: -47.398
Base-Backbone interact. energy: -0.077
local terms energy: -62.594517
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -5.227
tors. eta vs tors. theta energy: -13.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -164.649541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.649541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.649541 (E_RNA)
where:
Base-Base interactions energy: -104.171
where: short stacking energy: -44.681
Base-Backbone interact. energy: -0.088
local terms energy: -60.390590
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -11.866
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: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -166.524759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.524759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.524759 (E_RNA)
where:
Base-Base interactions energy: -102.440
where: short stacking energy: -42.966
Base-Backbone interact. energy: -0.099
local terms energy: -63.985603
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -91.808571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.808571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.808571 (E_RNA)
where:
Base-Base interactions energy: -35.106
where: short stacking energy: -26.590
Base-Backbone interact. energy: 1.014
local terms energy: -57.717266
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -85.578559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.578559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.578559 (E_RNA)
where:
Base-Base interactions energy: -36.219
where: short stacking energy: -22.046
Base-Backbone interact. energy: -0.257
local terms energy: -49.103057
where:
bonds (distance) C4'-P energy: -9.571
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -7.500
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: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -81.502891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.502891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.502891 (E_RNA)
where:
Base-Base interactions energy: -36.708
where: short stacking energy: -26.839
Base-Backbone interact. energy: -0.107
local terms energy: -44.688053
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -70.598614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.598614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.598614 (E_RNA)
where:
Base-Base interactions energy: -22.063
where: short stacking energy: -22.063
Base-Backbone interact. energy: -0.158
local terms energy: -48.377201
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -8.827
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -207.215817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.215817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.215817 (E_RNA)
where:
Base-Base interactions energy: -137.269
where: short stacking energy: -62.736
Base-Backbone interact. energy: -0.598
local terms energy: -69.349272
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -206.049399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.049399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.049399 (E_RNA)
where:
Base-Base interactions energy: -138.706
where: short stacking energy: -60.499
Base-Backbone interact. energy: 0.219
local terms energy: -67.563154
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -191.694842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.694842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.694842 (E_RNA)
where:
Base-Base interactions energy: -113.957
where: short stacking energy: -42.650
Base-Backbone interact. energy: -0.001
local terms energy: -77.736712
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -18.675
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: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -177.912553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.912553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.912553 (E_RNA)
where:
Base-Base interactions energy: -125.319
where: short stacking energy: -52.025
Base-Backbone interact. energy: -0.946
local terms energy: -51.647129
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -7.116
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -165.450053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.450053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.450053 (E_RNA)
where:
Base-Base interactions energy: -102.139
where: short stacking energy: -47.504
Base-Backbone interact. energy: -0.545
local terms energy: -62.765830
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -9.282
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: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -149.568028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.568028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.568028 (E_RNA)
where:
Base-Base interactions energy: -95.586
where: short stacking energy: -38.208
Base-Backbone interact. energy: -0.076
local terms energy: -53.905814
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -94.792743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.792743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.792743 (E_RNA)
where:
Base-Base interactions energy: -49.783
where: short stacking energy: -30.233
Base-Backbone interact. energy: -0.477
local terms energy: -44.532727
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -1.493
tors. eta vs tors. theta energy: -2.627
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: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -80.559496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.559496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.559496 (E_RNA)
where:
Base-Base interactions energy: -35.307
where: short stacking energy: -20.104
Base-Backbone interact. energy: -0.060
local terms energy: -45.192637
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -8.743
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: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -87.830667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.830667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.830667 (E_RNA)
where:
Base-Base interactions energy: -37.402
where: short stacking energy: -37.402
Base-Backbone interact. energy: -0.088
local terms energy: -50.340377
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -7.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -85.460632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.460632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.460632 (E_RNA)
where:
Base-Base interactions energy: -34.368
where: short stacking energy: -21.283
Base-Backbone interact. energy: -0.236
local terms energy: -50.856506
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -7.130
flat angles P-C4'-P energy: -11.616
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: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -207.413950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.413950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.413950 (E_RNA)
where:
Base-Base interactions energy: -140.049
where: short stacking energy: -58.974
Base-Backbone interact. energy: -0.607
local terms energy: -66.757661
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -207.299555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.299555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.299555 (E_RNA)
where:
Base-Base interactions energy: -134.209
where: short stacking energy: -56.719
Base-Backbone interact. energy: -0.627
local terms energy: -72.463084
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -179.537163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.537163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.537163 (E_RNA)
where:
Base-Base interactions energy: -108.078
where: short stacking energy: -50.208
Base-Backbone interact. energy: -0.025
local terms energy: -71.433816
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -157.773351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.773351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.773351 (E_RNA)
where:
Base-Base interactions energy: -102.593
where: short stacking energy: -55.457
Base-Backbone interact. energy: -0.112
local terms energy: -55.068586
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -3.540
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -176.375130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.375130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.375130 (E_RNA)
where:
Base-Base interactions energy: -104.496
where: short stacking energy: -52.561
Base-Backbone interact. energy: -0.096
local terms energy: -71.783385
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -20.051
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: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -143.750384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.750384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.750384 (E_RNA)
where:
Base-Base interactions energy: -80.807
where: short stacking energy: -37.232
Base-Backbone interact. energy: -1.927
local terms energy: -61.016450
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -9.256
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: 350
Temperature: 1.200000
Total energy: -85.502306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.502306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.502306 (E_RNA)
where:
Base-Base interactions energy: -39.398
where: short stacking energy: -20.834
Base-Backbone interact. energy: 0.047
local terms energy: -46.151593
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -7.500
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -78.397972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.397972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.397972 (E_RNA)
where:
Base-Base interactions energy: -29.216
where: short stacking energy: -29.216
Base-Backbone interact. energy: -0.033
local terms energy: -49.148657
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -8.861
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: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -78.246352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.246352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.246352 (E_RNA)
where:
Base-Base interactions energy: -30.454
where: short stacking energy: -13.923
Base-Backbone interact. energy: -0.799
local terms energy: -46.994227
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: 0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -86.655552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.655552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.655552 (E_RNA)
where:
Base-Base interactions energy: -35.189
where: short stacking energy: -35.189
Base-Backbone interact. energy: 1.449
local terms energy: -52.914732
where:
bonds (distance) C4'-P energy: -8.089
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -211.610022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.610022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.610022 (E_RNA)
where:
Base-Base interactions energy: -141.701
where: short stacking energy: -62.940
Base-Backbone interact. energy: -0.221
local terms energy: -69.688365
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -197.091072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.091072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.091072 (E_RNA)
where:
Base-Base interactions energy: -124.390
where: short stacking energy: -60.232
Base-Backbone interact. energy: 0.321
local terms energy: -73.022429
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -18.345
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: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -166.660914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.660914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.660914 (E_RNA)
where:
Base-Base interactions energy: -107.293
where: short stacking energy: -42.979
Base-Backbone interact. energy: -0.260
local terms energy: -59.107736
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -2.718
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -162.563438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.563438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.563438 (E_RNA)
where:
Base-Base interactions energy: -102.036
where: short stacking energy: -45.652
Base-Backbone interact. energy: -0.254
local terms energy: -60.272935
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -136.972179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.972179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.972179 (E_RNA)
where:
Base-Base interactions energy: -76.729
where: short stacking energy: -42.905
Base-Backbone interact. energy: -0.009
local terms energy: -60.234490
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -10.107
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: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -140.232080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.232080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.232080 (E_RNA)
where:
Base-Base interactions energy: -85.700
where: short stacking energy: -35.484
Base-Backbone interact. energy: -0.028
local terms energy: -54.504085
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -7.839
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: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -85.574689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.574689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.574689 (E_RNA)
where:
Base-Base interactions energy: -32.669
where: short stacking energy: -26.656
Base-Backbone interact. energy: -0.743
local terms energy: -52.162716
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -90.235724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.235724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.235724 (E_RNA)
where:
Base-Base interactions energy: -38.362
where: short stacking energy: -38.362
Base-Backbone interact. energy: -0.174
local terms energy: -51.699078
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -79.981798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.981798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.981798 (E_RNA)
where:
Base-Base interactions energy: -30.317
where: short stacking energy: -26.986
Base-Backbone interact. energy: -0.248
local terms energy: -49.416559
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -1.990
tors. eta vs tors. theta energy: -8.764
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: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -75.178365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.178365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.178365 (E_RNA)
where:
Base-Base interactions energy: -25.708
where: short stacking energy: -25.708
Base-Backbone interact. energy: -0.083
local terms energy: -49.387476
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -195.410612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.410612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.410612 (E_RNA)
where:
Base-Base interactions energy: -126.564
where: short stacking energy: -61.123
Base-Backbone interact. energy: -0.002
local terms energy: -68.844386
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -194.408415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.408415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.408415 (E_RNA)
where:
Base-Base interactions energy: -125.424
where: short stacking energy: -59.700
Base-Backbone interact. energy: -0.001
local terms energy: -68.983185
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -17.064
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: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -166.260441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.260441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.260441 (E_RNA)
where:
Base-Base interactions energy: -99.756
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.004
local terms energy: -66.500796
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -17.134
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: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -168.685529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.685529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.685529 (E_RNA)
where:
Base-Base interactions energy: -106.988
where: short stacking energy: -43.178
Base-Backbone interact. energy: 3.826
local terms energy: -65.524194
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -13.946
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: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -132.423875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.423875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.423875 (E_RNA)
where:
Base-Base interactions energy: -70.156
where: short stacking energy: -36.671
Base-Backbone interact. energy: -0.397
local terms energy: -61.870915
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -131.668781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.668781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.668781 (E_RNA)
where:
Base-Base interactions energy: -82.754
where: short stacking energy: -37.359
Base-Backbone interact. energy: -0.039
local terms energy: -48.875337
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: -8.197
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: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -87.813540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.813540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.813540 (E_RNA)
where:
Base-Base interactions energy: -38.517
where: short stacking energy: -38.517
Base-Backbone interact. energy: -0.116
local terms energy: -49.179683
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -7.329
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -81.050613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.050613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.050613 (E_RNA)
where:
Base-Base interactions energy: -32.112
where: short stacking energy: -28.722
Base-Backbone interact. energy: -0.223
local terms energy: -48.716170
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: 0.097
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: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -78.735870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.735870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.735870 (E_RNA)
where:
Base-Base interactions energy: -28.223
where: short stacking energy: -28.223
Base-Backbone interact. energy: -0.120
local terms energy: -50.392713
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -8.192
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: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -79.928658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.928658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.928658 (E_RNA)
where:
Base-Base interactions energy: -27.031
where: short stacking energy: -26.950
Base-Backbone interact. energy: -0.083
local terms energy: -52.814298
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -8.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -209.426301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.426301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.426301 (E_RNA)
where:
Base-Base interactions energy: -137.152
where: short stacking energy: -67.423
Base-Backbone interact. energy: -0.156
local terms energy: -72.118255
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -21.445
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: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -187.965260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.965260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.965260 (E_RNA)
where:
Base-Base interactions energy: -120.034
where: short stacking energy: -53.038
Base-Backbone interact. energy: -0.603
local terms energy: -67.328825
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -14.595
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: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -173.414485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.414485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.414485 (E_RNA)
where:
Base-Base interactions energy: -107.164
where: short stacking energy: -41.707
Base-Backbone interact. energy: -0.593
local terms energy: -65.657951
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -14.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -173.603294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.603294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.603294 (E_RNA)
where:
Base-Base interactions energy: -109.217
where: short stacking energy: -50.677
Base-Backbone interact. energy: -0.024
local terms energy: -64.362393
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -9.208
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -137.370369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.370369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.370369 (E_RNA)
where:
Base-Base interactions energy: -79.949
where: short stacking energy: -50.961
Base-Backbone interact. energy: -0.384
local terms energy: -57.037701
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -8.260
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: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -120.833280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.833280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.833280 (E_RNA)
where:
Base-Base interactions energy: -66.959
where: short stacking energy: -35.056
Base-Backbone interact. energy: 0.856
local terms energy: -54.730155
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -8.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -89.062235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.062235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.062235 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -26.993
Base-Backbone interact. energy: -0.258
local terms energy: -49.041705
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -109.508779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.508779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.508779 (E_RNA)
where:
Base-Base interactions energy: -57.214
where: short stacking energy: -33.874
Base-Backbone interact. energy: -0.283
local terms energy: -52.011922
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -7.663
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: 9, replica: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -79.265804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.265804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.265804 (E_RNA)
where:
Base-Base interactions energy: -25.892
where: short stacking energy: -25.892
Base-Backbone interact. energy: -0.322
local terms energy: -53.052461
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: 1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -66.619770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.619770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.619770 (E_RNA)
where:
Base-Base interactions energy: -26.345
where: short stacking energy: -17.927
Base-Backbone interact. energy: -0.391
local terms energy: -39.883823
where:
bonds (distance) C4'-P energy: -9.811
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -196.386788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.386788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.386788 (E_RNA)
where:
Base-Base interactions energy: -125.457
where: short stacking energy: -61.040
Base-Backbone interact. energy: -0.022
local terms energy: -70.907000
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -211.436971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.436971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.436971 (E_RNA)
where:
Base-Base interactions energy: -140.959
where: short stacking energy: -58.037
Base-Backbone interact. energy: -0.001
local terms energy: -70.477037
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -165.003190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.003190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.003190 (E_RNA)
where:
Base-Base interactions energy: -102.334
where: short stacking energy: -51.129
Base-Backbone interact. energy: -0.545
local terms energy: -62.123541
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -160.947810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.947810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.947810 (E_RNA)
where:
Base-Base interactions energy: -89.748
where: short stacking energy: -40.721
Base-Backbone interact. energy: -0.003
local terms energy: -71.196950
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -12.497
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: 354
Temperature: 1.100000
Total energy: -141.477536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.477536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.477536 (E_RNA)
where:
Base-Base interactions energy: -86.301
where: short stacking energy: -46.004
Base-Backbone interact. energy: -0.192
local terms energy: -54.985062
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -7.588
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: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -116.398947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.398947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.398947 (E_RNA)
where:
Base-Base interactions energy: -63.367
where: short stacking energy: -43.872
Base-Backbone interact. energy: -0.013
local terms energy: -53.018174
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -1.198
tors. eta vs tors. theta energy: -11.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -94.035077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.035077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.035077 (E_RNA)
where:
Base-Base interactions energy: -37.586
where: short stacking energy: -25.039
Base-Backbone interact. energy: -0.278
local terms energy: -56.170750
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -6.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -75.896100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.896100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.896100 (E_RNA)
where:
Base-Base interactions energy: -21.472
where: short stacking energy: -21.472
Base-Backbone interact. energy: -0.180
local terms energy: -54.243589
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -83.540106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.540106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.540106 (E_RNA)
where:
Base-Base interactions energy: -32.915
where: short stacking energy: -28.668
Base-Backbone interact. energy: 0.130
local terms energy: -50.754685
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -8.299
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: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -63.817109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.817109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.817109 (E_RNA)
where:
Base-Base interactions energy: -14.852
where: short stacking energy: -15.184
Base-Backbone interact. energy: -0.157
local terms energy: -48.808004
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -5.712
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: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -196.754135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.754135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.754135 (E_RNA)
where:
Base-Base interactions energy: -136.874
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.345
local terms energy: -59.535366
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -193.359159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.359159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.359159 (E_RNA)
where:
Base-Base interactions energy: -129.514
where: short stacking energy: -57.639
Base-Backbone interact. energy: -0.023
local terms energy: -63.821929
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -184.606210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.606210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.606210 (E_RNA)
where:
Base-Base interactions energy: -113.864
where: short stacking energy: -47.684
Base-Backbone interact. energy: -0.107
local terms energy: -70.635154
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -17.950
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: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -145.080062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.080062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.080062 (E_RNA)
where:
Base-Base interactions energy: -87.437
where: short stacking energy: -49.905
Base-Backbone interact. energy: 1.045
local terms energy: -58.687684
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -9.814
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: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -158.759494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.759494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.759494 (E_RNA)
where:
Base-Base interactions energy: -101.844
where: short stacking energy: -38.378
Base-Backbone interact. energy: -0.025
local terms energy: -56.890447
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -7.339
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -8.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -137.205740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.205740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.205740 (E_RNA)
where:
Base-Base interactions energy: -80.472
where: short stacking energy: -36.923
Base-Backbone interact. energy: -0.237
local terms energy: -56.496201
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -80.937873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.937873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.937873 (E_RNA)
where:
Base-Base interactions energy: -27.789
where: short stacking energy: -27.789
Base-Backbone interact. energy: -0.178
local terms energy: -52.969989
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -5.532
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: 355
Temperature: 1.250000
Total energy: -79.911024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.911024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.911024 (E_RNA)
where:
Base-Base interactions energy: -26.677
where: short stacking energy: -26.777
Base-Backbone interact. energy: -0.095
local terms energy: -53.139068
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -7.659
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: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -78.334990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.334990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.334990 (E_RNA)
where:
Base-Base interactions energy: -31.609
where: short stacking energy: -29.539
Base-Backbone interact. energy: -1.187
local terms energy: -45.539066
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -75.017772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.017772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.017772 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -24.677
Base-Backbone interact. energy: -0.017
local terms energy: -35.303060
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -7.530
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -191.030320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.030320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.030320 (E_RNA)
where:
Base-Base interactions energy: -119.132
where: short stacking energy: -64.392
Base-Backbone interact. energy: -1.022
local terms energy: -70.876995
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -190.620730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.620730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.620730 (E_RNA)
where:
Base-Base interactions energy: -127.355
where: short stacking energy: -53.074
Base-Backbone interact. energy: -0.143
local terms energy: -63.121787
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -176.547330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.547330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.547330 (E_RNA)
where:
Base-Base interactions energy: -109.329
where: short stacking energy: -48.491
Base-Backbone interact. energy: -0.713
local terms energy: -66.505373
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -17.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -156.509442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.509442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.509442 (E_RNA)
where:
Base-Base interactions energy: -91.266
where: short stacking energy: -58.685
Base-Backbone interact. energy: -0.002
local terms energy: -65.242038
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -16.729
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: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -158.544865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.544865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.544865 (E_RNA)
where:
Base-Base interactions energy: -95.203
where: short stacking energy: -51.223
Base-Backbone interact. energy: -0.097
local terms energy: -63.244464
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -15.836
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: 356
Temperature: 1.150000
Total energy: -143.493071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.493071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.493071 (E_RNA)
where:
Base-Base interactions energy: -78.825
where: short stacking energy: -51.941
Base-Backbone interact. energy: -0.101
local terms energy: -64.567188
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -96.102566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.102566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.102566 (E_RNA)
where:
Base-Base interactions energy: -36.360
where: short stacking energy: -33.522
Base-Backbone interact. energy: -0.084
local terms energy: -59.658441
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -11.302
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: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -89.121589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.121589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.121589 (E_RNA)
where:
Base-Base interactions energy: -34.017
where: short stacking energy: -30.890
Base-Backbone interact. energy: -0.187
local terms energy: -54.917599
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -81.387438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.387438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.387438 (E_RNA)
where:
Base-Base interactions energy: -34.228
where: short stacking energy: -21.196
Base-Backbone interact. energy: -0.592
local terms energy: -46.567966
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -9.413
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: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -72.325630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.325630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.325630 (E_RNA)
where:
Base-Base interactions energy: -31.263
where: short stacking energy: -10.156
Base-Backbone interact. energy: -0.350
local terms energy: -40.712784
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: 2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -194.312711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.312711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.312711 (E_RNA)
where:
Base-Base interactions energy: -122.079
where: short stacking energy: -60.237
Base-Backbone interact. energy: -0.814
local terms energy: -71.419198
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -19.497
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: 357
Temperature: 0.950000
Total energy: -212.255522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.255522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.255522 (E_RNA)
where:
Base-Base interactions energy: -143.767
where: short stacking energy: -60.137
Base-Backbone interact. energy: -0.238
local terms energy: -68.249836
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -170.526379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.526379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.526379 (E_RNA)
where:
Base-Base interactions energy: -107.802
where: short stacking energy: -47.367
Base-Backbone interact. energy: -0.099
local terms energy: -62.625676
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -159.909867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.909867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.909867 (E_RNA)
where:
Base-Base interactions energy: -103.302
where: short stacking energy: -38.446
Base-Backbone interact. energy: 1.389
local terms energy: -57.996911
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -5.184
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: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -149.201067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.201067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.201067 (E_RNA)
where:
Base-Base interactions energy: -89.476
where: short stacking energy: -50.273
Base-Backbone interact. energy: -0.465
local terms energy: -59.260006
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -157.710761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.710761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.710761 (E_RNA)
where:
Base-Base interactions energy: -98.905
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.102
local terms energy: -58.704409
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -76.143154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.143154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.143154 (E_RNA)
where:
Base-Base interactions energy: -31.494
where: short stacking energy: -30.863
Base-Backbone interact. energy: -0.972
local terms energy: -43.677742
where:
bonds (distance) C4'-P energy: -9.951
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -6.994
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: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -79.405542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.405542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.405542 (E_RNA)
where:
Base-Base interactions energy: -29.571
where: short stacking energy: -27.782
Base-Backbone interact. energy: -0.524
local terms energy: -49.310200
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -77.660996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.660996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.660996 (E_RNA)
where:
Base-Base interactions energy: -24.336
where: short stacking energy: -20.444
Base-Backbone interact. energy: -0.005
local terms energy: -53.320004
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -68.007645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.007645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.007645 (E_RNA)
where:
Base-Base interactions energy: -22.208
where: short stacking energy: -20.286
Base-Backbone interact. energy: -0.149
local terms energy: -45.650887
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -5.296
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: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -199.889872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.889872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.889872 (E_RNA)
where:
Base-Base interactions energy: -123.732
where: short stacking energy: -58.461
Base-Backbone interact. energy: -0.322
local terms energy: -75.835594
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -197.016299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.016299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.016299 (E_RNA)
where:
Base-Base interactions energy: -130.544
where: short stacking energy: -56.166
Base-Backbone interact. energy: -0.065
local terms energy: -66.407208
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -4.188
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -170.309189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.309189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.309189 (E_RNA)
where:
Base-Base interactions energy: -108.176
where: short stacking energy: -46.298
Base-Backbone interact. energy: -0.118
local terms energy: -62.014424
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -9.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -153.216811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.216811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.216811 (E_RNA)
where:
Base-Base interactions energy: -92.053
where: short stacking energy: -36.350
Base-Backbone interact. energy: -0.385
local terms energy: -60.779178
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -10.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -159.937390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.937390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.937390 (E_RNA)
where:
Base-Base interactions energy: -99.582
where: short stacking energy: -49.638
Base-Backbone interact. energy: -0.007
local terms energy: -60.348554
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -137.432440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.432440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.432440 (E_RNA)
where:
Base-Base interactions energy: -78.729
where: short stacking energy: -37.998
Base-Backbone interact. energy: -0.072
local terms energy: -58.631416
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -111.245435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.245435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.245435 (E_RNA)
where:
Base-Base interactions energy: -60.737
where: short stacking energy: -38.449
Base-Backbone interact. energy: -0.508
local terms energy: -50.000406
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -73.501898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.501898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.501898 (E_RNA)
where:
Base-Base interactions energy: -31.353
where: short stacking energy: -31.353
Base-Backbone interact. energy: 1.924
local terms energy: -44.072988
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -1.753
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: 358
Temperature: 1.300000
Total energy: -75.768712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.768712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.768712 (E_RNA)
where:
Base-Base interactions energy: -29.859
where: short stacking energy: -22.027
Base-Backbone interact. energy: -0.186
local terms energy: -45.723741
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -7.910
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: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -67.659358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.659358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.659358 (E_RNA)
where:
Base-Base interactions energy: -25.337
where: short stacking energy: -23.716
Base-Backbone interact. energy: -0.362
local terms energy: -41.960356
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -7.882
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -204.223739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.223739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.223739 (E_RNA)
where:
Base-Base interactions energy: -133.387
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.002
local terms energy: -70.834916
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -169.806795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.806795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.806795 (E_RNA)
where:
Base-Base interactions energy: -112.072
where: short stacking energy: -40.507
Base-Backbone interact. energy: 0.689
local terms energy: -58.423258
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -8.092
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: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -195.123179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.123179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.123179 (E_RNA)
where:
Base-Base interactions energy: -126.978
where: short stacking energy: -63.250
Base-Backbone interact. energy: -0.004
local terms energy: -68.141029
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -152.289569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.289569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.289569 (E_RNA)
where:
Base-Base interactions energy: -88.040
where: short stacking energy: -51.595
Base-Backbone interact. energy: -0.331
local terms energy: -63.919028
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -148.394618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.394618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.394618 (E_RNA)
where:
Base-Base interactions energy: -94.117
where: short stacking energy: -48.262
Base-Backbone interact. energy: -0.044
local terms energy: -54.234137
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -2.684
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: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -146.595480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.595480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.595480 (E_RNA)
where:
Base-Base interactions energy: -94.883
where: short stacking energy: -47.616
Base-Backbone interact. energy: -0.274
local terms energy: -51.438404
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -7.819
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -4.803
tors. eta vs tors. theta energy: -9.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -79.412910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.412910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.412910 (E_RNA)
where:
Base-Base interactions energy: -25.813
where: short stacking energy: -19.552
Base-Backbone interact. energy: -0.227
local terms energy: -53.372843
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -84.685500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.685500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.685500 (E_RNA)
where:
Base-Base interactions energy: -34.731
where: short stacking energy: -34.731
Base-Backbone interact. energy: -0.080
local terms energy: -49.874309
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -89.084539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.084539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.084539 (E_RNA)
where:
Base-Base interactions energy: -37.034
where: short stacking energy: -20.086
Base-Backbone interact. energy: -0.345
local terms energy: -51.706125
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -70.948369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.948369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.948369 (E_RNA)
where:
Base-Base interactions energy: -28.124
where: short stacking energy: -25.342
Base-Backbone interact. energy: -0.064
local terms energy: -42.759689
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -5.547
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: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -201.956366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.956366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.956366 (E_RNA)
where:
Base-Base interactions energy: -139.471
where: short stacking energy: -68.789
Base-Backbone interact. energy: -0.253
local terms energy: -62.232445
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -21.211
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: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -168.080111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.080111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.080111 (E_RNA)
where:
Base-Base interactions energy: -96.066
where: short stacking energy: -50.164
Base-Backbone interact. energy: -0.773
local terms energy: -71.240617
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -204.133462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.133462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.133462 (E_RNA)
where:
Base-Base interactions energy: -131.313
where: short stacking energy: -51.641
Base-Backbone interact. energy: -0.004
local terms energy: -72.816741
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -149.236497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.236497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.236497 (E_RNA)
where:
Base-Base interactions energy: -92.112
where: short stacking energy: -43.424
Base-Backbone interact. energy: -0.022
local terms energy: -57.102093
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -7.480
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: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -145.433986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.433986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.433986 (E_RNA)
where:
Base-Base interactions energy: -88.222
where: short stacking energy: -54.848
Base-Backbone interact. energy: 0.067
local terms energy: -57.279043
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -12.382
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: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -143.594725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.594725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.594725 (E_RNA)
where:
Base-Base interactions energy: -83.202
where: short stacking energy: -40.697
Base-Backbone interact. energy: -0.200
local terms energy: -60.192672
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -83.246548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.246548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.246548 (E_RNA)
where:
Base-Base interactions energy: -35.948
where: short stacking energy: -24.679
Base-Backbone interact. energy: -0.274
local terms energy: -47.024336
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -80.755060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.755060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.755060 (E_RNA)
where:
Base-Base interactions energy: -23.684
where: short stacking energy: -14.704
Base-Backbone interact. energy: -0.520
local terms energy: -56.550781
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -84.054430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.054430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.054430 (E_RNA)
where:
Base-Base interactions energy: -34.774
where: short stacking energy: -34.734
Base-Backbone interact. energy: -0.050
local terms energy: -49.230871
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -73.386972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.386972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.386972 (E_RNA)
where:
Base-Base interactions energy: -42.905
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.016
local terms energy: -30.466624
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -3.932
flat angles P-C4'-P energy: 1.348
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -215.408251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.408251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.408251 (E_RNA)
where:
Base-Base interactions energy: -136.971
where: short stacking energy: -57.694
Base-Backbone interact. energy: -0.001
local terms energy: -78.436214
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -201.976535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.976535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.976535 (E_RNA)
where:
Base-Base interactions energy: -127.897
where: short stacking energy: -62.497
Base-Backbone interact. energy: -0.633
local terms energy: -73.446716
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -152.367404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.367404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.367404 (E_RNA)
where:
Base-Base interactions energy: -96.690
where: short stacking energy: -51.275
Base-Backbone interact. energy: 1.296
local terms energy: -56.973829
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -146.177696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.177696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.177696 (E_RNA)
where:
Base-Base interactions energy: -89.420
where: short stacking energy: -42.910
Base-Backbone interact. energy: -0.203
local terms energy: -56.554554
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -7.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -141.601855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.601855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.601855 (E_RNA)
where:
Base-Base interactions energy: -85.131
where: short stacking energy: -43.063
Base-Backbone interact. energy: 0.543
local terms energy: -57.013342
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -11.371
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: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -164.470352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.470352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.470352 (E_RNA)
where:
Base-Base interactions energy: -101.843
where: short stacking energy: -49.389
Base-Backbone interact. energy: 0.149
local terms energy: -62.775875
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -16.683
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: 361
Temperature: 1.200000
Total energy: -114.707141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.707141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.707141 (E_RNA)
where:
Base-Base interactions energy: -54.159
where: short stacking energy: -39.237
Base-Backbone interact. energy: -0.005
local terms energy: -60.543374
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -12.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -91.205813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.205813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.205813 (E_RNA)
where:
Base-Base interactions energy: -41.850
where: short stacking energy: -31.323
Base-Backbone interact. energy: -0.503
local terms energy: -48.852579
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -4.098
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: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -90.852468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.852468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.852468 (E_RNA)
where:
Base-Base interactions energy: -45.144
where: short stacking energy: -25.679
Base-Backbone interact. energy: 1.759
local terms energy: -47.467395
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -6.826
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -73.016864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.016864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.016864 (E_RNA)
where:
Base-Base interactions energy: -30.873
where: short stacking energy: -22.436
Base-Backbone interact. energy: -0.211
local terms energy: -41.932982
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: 1.783
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: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -198.158397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.158397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.158397 (E_RNA)
where:
Base-Base interactions energy: -128.154
where: short stacking energy: -45.131
Base-Backbone interact. energy: 0.162
local terms energy: -70.166114
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -14.216
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: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -200.088752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.088752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.088752 (E_RNA)
where:
Base-Base interactions energy: -135.491
where: short stacking energy: -59.945
Base-Backbone interact. energy: -0.001
local terms energy: -64.596150
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -160.036419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.036419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.036419 (E_RNA)
where:
Base-Base interactions energy: -98.532
where: short stacking energy: -48.080
Base-Backbone interact. energy: -0.095
local terms energy: -61.410377
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -151.722087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.722087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.722087 (E_RNA)
where:
Base-Base interactions energy: -93.893
where: short stacking energy: -47.390
Base-Backbone interact. energy: -0.073
local terms energy: -57.755574
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -7.320
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: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -190.579183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.579183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.579183 (E_RNA)
where:
Base-Base interactions energy: -124.484
where: short stacking energy: -53.016
Base-Backbone interact. energy: -0.003
local terms energy: -66.092629
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -16.144
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: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -96.432272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.432272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.432272 (E_RNA)
where:
Base-Base interactions energy: -50.156
where: short stacking energy: -45.236
Base-Backbone interact. energy: -0.140
local terms energy: -46.137092
where:
bonds (distance) C4'-P energy: -5.298
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -6.212
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -11.266
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: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -92.376640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.376640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.376640 (E_RNA)
where:
Base-Base interactions energy: -39.678
where: short stacking energy: -30.315
Base-Backbone interact. energy: -0.697
local terms energy: -52.001999
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -91.298996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.298996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.298996 (E_RNA)
where:
Base-Base interactions energy: -37.579
where: short stacking energy: -37.579
Base-Backbone interact. energy: -0.029
local terms energy: -53.690827
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -9.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -83.817967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.817967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.817967 (E_RNA)
where:
Base-Base interactions energy: -36.392
where: short stacking energy: -36.392
Base-Backbone interact. energy: -1.068
local terms energy: -46.357460
where:
bonds (distance) C4'-P energy: -7.905
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -77.293971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.293971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.293971 (E_RNA)
where:
Base-Base interactions energy: -32.463
where: short stacking energy: -32.463
Base-Backbone interact. energy: -0.111
local terms energy: -44.720303
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -8.001
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -213.379767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.379767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.379767 (E_RNA)
where:
Base-Base interactions energy: -142.800
where: short stacking energy: -63.191
Base-Backbone interact. energy: -0.100
local terms energy: -70.478982
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -19.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -207.104754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.104754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.104754 (E_RNA)
where:
Base-Base interactions energy: -135.589
where: short stacking energy: -57.544
Base-Backbone interact. energy: -0.019
local terms energy: -71.497634
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -150.164886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.164886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.164886 (E_RNA)
where:
Base-Base interactions energy: -86.448
where: short stacking energy: -46.847
Base-Backbone interact. energy: -0.594
local terms energy: -63.122754
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -182.331074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.331074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.331074 (E_RNA)
where:
Base-Base interactions energy: -119.429
where: short stacking energy: -47.134
Base-Backbone interact. energy: -0.105
local terms energy: -62.797464
where:
bonds (distance) C4'-P energy: -6.110
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -17.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -165.622849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.622849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.622849 (E_RNA)
where:
Base-Base interactions energy: -102.882
where: short stacking energy: -51.046
Base-Backbone interact. energy: 0.363
local terms energy: -63.103569
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -12.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -104.787465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.787465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.787465 (E_RNA)
where:
Base-Base interactions energy: -44.047
where: short stacking energy: -42.605
Base-Backbone interact. energy: -1.805
local terms energy: -58.934881
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -11.715
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: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -89.638759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.638759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.638759 (E_RNA)
where:
Base-Base interactions energy: -34.880
where: short stacking energy: -34.880
Base-Backbone interact. energy: -0.026
local terms energy: -54.732856
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -8.094
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -73.986976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.986976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.986976 (E_RNA)
where:
Base-Base interactions energy: -30.995
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.087
local terms energy: -42.905045
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -9.098
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -80.709232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.709232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.709232 (E_RNA)
where:
Base-Base interactions energy: -34.841
where: short stacking energy: -20.852
Base-Backbone interact. energy: 1.236
local terms energy: -47.104811
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -86.102604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.102604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.102604 (E_RNA)
where:
Base-Base interactions energy: -30.812
where: short stacking energy: -17.768
Base-Backbone interact. energy: -0.221
local terms energy: -55.070121
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -10.772
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: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -194.863742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.863742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.863742 (E_RNA)
where:
Base-Base interactions energy: -132.266
where: short stacking energy: -60.026
Base-Backbone interact. energy: -0.093
local terms energy: -62.505273
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -210.913158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.913158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.913158 (E_RNA)
where:
Base-Base interactions energy: -138.097
where: short stacking energy: -65.638
Base-Backbone interact. energy: -0.107
local terms energy: -72.708662
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -22.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -174.263311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.263311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.263311 (E_RNA)
where:
Base-Base interactions energy: -110.624
where: short stacking energy: -51.785
Base-Backbone interact. energy: -0.007
local terms energy: -63.632381
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -12.706
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: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -156.897022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.897022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.897022 (E_RNA)
where:
Base-Base interactions energy: -93.836
where: short stacking energy: -46.510
Base-Backbone interact. energy: -0.400
local terms energy: -62.660590
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -11.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -98.994600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.994600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.994600 (E_RNA)
where:
Base-Base interactions energy: -38.800
where: short stacking energy: -37.588
Base-Backbone interact. energy: -0.833
local terms energy: -59.361915
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -8.833
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: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -157.183480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.183480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.183480 (E_RNA)
where:
Base-Base interactions energy: -95.895
where: short stacking energy: -44.435
Base-Backbone interact. energy: 0.230
local terms energy: -61.518977
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -12.493
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: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -86.626304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.626304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.626304 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -33.791
Base-Backbone interact. energy: -0.055
local terms energy: -52.779865
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -8.187
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -89.890047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.890047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.890047 (E_RNA)
where:
Base-Base interactions energy: -31.728
where: short stacking energy: -21.687
Base-Backbone interact. energy: -0.033
local terms energy: -58.129222
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -5.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -75.437337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.437337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.437337 (E_RNA)
where:
Base-Base interactions energy: -34.674
where: short stacking energy: -14.594
Base-Backbone interact. energy: 1.145
local terms energy: -41.908939
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -3.591
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: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -68.245442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.245442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.245442 (E_RNA)
where:
Base-Base interactions energy: -22.181
where: short stacking energy: -22.181
Base-Backbone interact. energy: -0.026
local terms energy: -46.038846
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -7.216
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: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -213.383651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.383651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.383651 (E_RNA)
where:
Base-Base interactions energy: -145.488
where: short stacking energy: -61.843
Base-Backbone interact. energy: -0.865
local terms energy: -67.030786
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -216.093549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.093549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.093549 (E_RNA)
where:
Base-Base interactions energy: -144.417
where: short stacking energy: -63.990
Base-Backbone interact. energy: -0.000
local terms energy: -71.676269
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -18.795
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: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -167.248785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.248785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.248785 (E_RNA)
where:
Base-Base interactions energy: -97.181
where: short stacking energy: -50.433
Base-Backbone interact. energy: -0.005
local terms energy: -70.062243
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -143.846829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.846829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.846829 (E_RNA)
where:
Base-Base interactions energy: -85.508
where: short stacking energy: -42.625
Base-Backbone interact. energy: -0.382
local terms energy: -57.956439
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -106.809249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.809249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.809249 (E_RNA)
where:
Base-Base interactions energy: -50.993
where: short stacking energy: -33.969
Base-Backbone interact. energy: -0.120
local terms energy: -55.696629
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -148.561274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.561274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.561274 (E_RNA)
where:
Base-Base interactions energy: -86.290
where: short stacking energy: -38.561
Base-Backbone interact. energy: -0.055
local terms energy: -62.216242
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -82.673982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.673982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.673982 (E_RNA)
where:
Base-Base interactions energy: -27.983
where: short stacking energy: -27.983
Base-Backbone interact. energy: -0.277
local terms energy: -54.413348
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -83.013489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.013489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.013489 (E_RNA)
where:
Base-Base interactions energy: -23.393
where: short stacking energy: -22.419
Base-Backbone interact. energy: -0.139
local terms energy: -59.480907
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -73.014145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.014145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.014145 (E_RNA)
where:
Base-Base interactions energy: -32.109
where: short stacking energy: -16.194
Base-Backbone interact. energy: -0.080
local terms energy: -40.825237
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: 1.889
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: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -73.428013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.428013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.428013 (E_RNA)
where:
Base-Base interactions energy: -23.385
where: short stacking energy: -18.722
Base-Backbone interact. energy: 0.322
local terms energy: -50.364910
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -8.267
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: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -195.898656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.898656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.898656 (E_RNA)
where:
Base-Base interactions energy: -120.861
where: short stacking energy: -64.393
Base-Backbone interact. energy: 0.104
local terms energy: -75.142169
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -19.271
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: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -209.522153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.522153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.522153 (E_RNA)
where:
Base-Base interactions energy: -140.417
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.001
local terms energy: -69.104321
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -125.923365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.923365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.923365 (E_RNA)
where:
Base-Base interactions energy: -68.509
where: short stacking energy: -33.734
Base-Backbone interact. energy: -1.485
local terms energy: -55.929749
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -10.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -153.015589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.015589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.015589 (E_RNA)
where:
Base-Base interactions energy: -88.677
where: short stacking energy: -42.857
Base-Backbone interact. energy: -0.047
local terms energy: -64.291093
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -10.595
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: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -145.674357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.674357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.674357 (E_RNA)
where:
Base-Base interactions energy: -83.374
where: short stacking energy: -34.972
Base-Backbone interact. energy: -0.097
local terms energy: -62.204033
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -12.580
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: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -102.674351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.674351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.674351 (E_RNA)
where:
Base-Base interactions energy: -51.215
where: short stacking energy: -24.211
Base-Backbone interact. energy: -0.029
local terms energy: -51.431049
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -10.835
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: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -103.375080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.375080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.375080 (E_RNA)
where:
Base-Base interactions energy: -46.838
where: short stacking energy: -32.302
Base-Backbone interact. energy: -0.192
local terms energy: -56.344804
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -4.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -78.817437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.817437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.817437 (E_RNA)
where:
Base-Base interactions energy: -34.295
where: short stacking energy: -31.157
Base-Backbone interact. energy: -0.892
local terms energy: -43.631192
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: 1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -80.782209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.782209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.782209 (E_RNA)
where:
Base-Base interactions energy: -30.118
where: short stacking energy: -30.118
Base-Backbone interact. energy: -0.010
local terms energy: -50.655118
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -8.108
flat angles P-C4'-P energy: -6.535
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: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -82.805322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.805322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.805322 (E_RNA)
where:
Base-Base interactions energy: -33.590
where: short stacking energy: -32.915
Base-Backbone interact. energy: -0.057
local terms energy: -49.159270
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -5.558
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: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -192.429429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.429429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.429429 (E_RNA)
where:
Base-Base interactions energy: -121.513
where: short stacking energy: -54.460
Base-Backbone interact. energy: -0.320
local terms energy: -70.596135
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -201.456627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.456627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.456627 (E_RNA)
where:
Base-Base interactions energy: -131.744
where: short stacking energy: -56.940
Base-Backbone interact. energy: -0.092
local terms energy: -69.620559
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -148.200225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.200225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.200225 (E_RNA)
where:
Base-Base interactions energy: -92.800
where: short stacking energy: -47.763
Base-Backbone interact. energy: -0.105
local terms energy: -55.295485
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -159.443281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.443281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.443281 (E_RNA)
where:
Base-Base interactions energy: -100.639
where: short stacking energy: -48.768
Base-Backbone interact. energy: -0.458
local terms energy: -58.345405
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -10.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -157.827866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.827866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.827866 (E_RNA)
where:
Base-Base interactions energy: -88.353
where: short stacking energy: -42.040
Base-Backbone interact. energy: -0.034
local terms energy: -69.441498
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -105.331739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.331739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.331739 (E_RNA)
where:
Base-Base interactions energy: -48.711
where: short stacking energy: -40.291
Base-Backbone interact. energy: -0.213
local terms energy: -56.407338
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -105.995469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.995469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.995469 (E_RNA)
where:
Base-Base interactions energy: -49.700
where: short stacking energy: -27.599
Base-Backbone interact. energy: -0.228
local terms energy: -56.067097
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -3.693
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: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -81.365667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.365667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.365667 (E_RNA)
where:
Base-Base interactions energy: -33.090
where: short stacking energy: -25.048
Base-Backbone interact. energy: 0.627
local terms energy: -48.902849
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -5.277
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: 9, replica: 2
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -77.411691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.411691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.411691 (E_RNA)
where:
Base-Base interactions energy: -25.428
where: short stacking energy: -25.428
Base-Backbone interact. energy: -0.049
local terms energy: -51.934891
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -5.162
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: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -76.112927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.112927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.112927 (E_RNA)
where:
Base-Base interactions energy: -24.843
where: short stacking energy: -24.843
Base-Backbone interact. energy: -0.014
local terms energy: -51.255637
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -211.127865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.127865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.127865 (E_RNA)
where:
Base-Base interactions energy: -137.900
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.002
local terms energy: -73.225259
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -20.278
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: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -189.376707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.376707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.376707 (E_RNA)
where:
Base-Base interactions energy: -126.841
where: short stacking energy: -58.606
Base-Backbone interact. energy: 0.349
local terms energy: -62.884761
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -146.766387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.766387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.766387 (E_RNA)
where:
Base-Base interactions energy: -84.601
where: short stacking energy: -39.293
Base-Backbone interact. energy: -0.150
local terms energy: -62.015401
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -157.830622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.830622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.830622 (E_RNA)
where:
Base-Base interactions energy: -95.268
where: short stacking energy: -48.358
Base-Backbone interact. energy: -0.537
local terms energy: -62.025630
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -155.299118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.299118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.299118 (E_RNA)
where:
Base-Base interactions energy: -100.684
where: short stacking energy: -53.375
Base-Backbone interact. energy: -0.515
local terms energy: -54.100487
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -10.430
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: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -87.435850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.435850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.435850 (E_RNA)
where:
Base-Base interactions energy: -41.100
where: short stacking energy: -34.466
Base-Backbone interact. energy: -0.267
local terms energy: -46.068831
where:
bonds (distance) C4'-P energy: -7.393
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -88.992872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.992872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.992872 (E_RNA)
where:
Base-Base interactions energy: -36.078
where: short stacking energy: -27.940
Base-Backbone interact. energy: -0.121
local terms energy: -52.794242
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -79.861917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.861917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.861917 (E_RNA)
where:
Base-Base interactions energy: -36.991
where: short stacking energy: -25.113
Base-Backbone interact. energy: -0.189
local terms energy: -42.681761
where:
bonds (distance) C4'-P energy: -6.682
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -87.823177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.823177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.823177 (E_RNA)
where:
Base-Base interactions energy: -31.380
where: short stacking energy: -30.876
Base-Backbone interact. energy: -0.257
local terms energy: -56.186233
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -70.438287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.438287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.438287 (E_RNA)
where:
Base-Base interactions energy: -24.962
where: short stacking energy: -24.962
Base-Backbone interact. energy: -0.387
local terms energy: -45.089707
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -7.689
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -204.725842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.725842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.725842 (E_RNA)
where:
Base-Base interactions energy: -136.115
where: short stacking energy: -57.748
Base-Backbone interact. energy: -0.003
local terms energy: -68.608298
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -205.087937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.087937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.087937 (E_RNA)
where:
Base-Base interactions energy: -133.008
where: short stacking energy: -63.262
Base-Backbone interact. energy: -0.240
local terms energy: -71.839980
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -158.617052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.617052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.617052 (E_RNA)
where:
Base-Base interactions energy: -94.108
where: short stacking energy: -46.764
Base-Backbone interact. energy: -0.110
local terms energy: -64.399345
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -160.448402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.448402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.448402 (E_RNA)
where:
Base-Base interactions energy: -98.517
where: short stacking energy: -50.158
Base-Backbone interact. energy: -0.074
local terms energy: -61.857650
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -14.504
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: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -159.207999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.207999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.207999 (E_RNA)
where:
Base-Base interactions energy: -96.212
where: short stacking energy: -42.209
Base-Backbone interact. energy: -0.108
local terms energy: -62.888007
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -13.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -91.832939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.832939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.832939 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -34.370
Base-Backbone interact. energy: -0.093
local terms energy: -57.369939
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -10.061
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: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -108.430144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.430144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.430144 (E_RNA)
where:
Base-Base interactions energy: -51.596
where: short stacking energy: -37.849
Base-Backbone interact. energy: -0.367
local terms energy: -56.467609
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -78.014964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.014964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.014964 (E_RNA)
where:
Base-Base interactions energy: -27.215
where: short stacking energy: -16.997
Base-Backbone interact. energy: 1.088
local terms energy: -51.887696
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -2.594
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: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -78.489231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.489231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.489231 (E_RNA)
where:
Base-Base interactions energy: -32.887
where: short stacking energy: -24.628
Base-Backbone interact. energy: -0.407
local terms energy: -45.194421
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -7.945
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: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -77.240338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.240338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.240338 (E_RNA)
where:
Base-Base interactions energy: -34.465
where: short stacking energy: -25.606
Base-Backbone interact. energy: 0.555
local terms energy: -43.329730
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -4.141
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: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -212.718973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.718973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.718973 (E_RNA)
where:
Base-Base interactions energy: -146.050
where: short stacking energy: -61.876
Base-Backbone interact. energy: -0.002
local terms energy: -66.667239
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -19.924
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: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -193.735641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.735641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.735641 (E_RNA)
where:
Base-Base interactions energy: -120.989
where: short stacking energy: -57.306
Base-Backbone interact. energy: -0.001
local terms energy: -72.745927
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -193.367278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.367278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.367278 (E_RNA)
where:
Base-Base interactions energy: -127.566
where: short stacking energy: -61.421
Base-Backbone interact. energy: -0.100
local terms energy: -65.701342
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -13.542
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: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -160.413459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.413459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.413459 (E_RNA)
where:
Base-Base interactions energy: -103.905
where: short stacking energy: -45.319
Base-Backbone interact. energy: -1.212
local terms energy: -55.295785
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -12.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -148.536330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.536330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.536330 (E_RNA)
where:
Base-Base interactions energy: -88.462
where: short stacking energy: -45.739
Base-Backbone interact. energy: -1.067
local terms energy: -59.007530
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -12.452
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: 370
Temperature: 1.150000
Total energy: -95.329856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.329856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.329856 (E_RNA)
where:
Base-Base interactions energy: -33.936
where: short stacking energy: -33.936
Base-Backbone interact. energy: -0.007
local terms energy: -61.386999
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -8.698
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: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -84.833074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.833074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.833074 (E_RNA)
where:
Base-Base interactions energy: -33.727
where: short stacking energy: -33.727
Base-Backbone interact. energy: -0.106
local terms energy: -50.999773
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -3.421
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: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -82.100037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.100037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.100037 (E_RNA)
where:
Base-Base interactions energy: -32.299
where: short stacking energy: -32.299
Base-Backbone interact. energy: 1.076
local terms energy: -50.877100
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -10.551
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -9.379
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: 9, replica: 2
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -80.899891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.899891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.899891 (E_RNA)
where:
Base-Base interactions energy: -40.661
where: short stacking energy: -14.982
Base-Backbone interact. energy: 0.391
local terms energy: -40.629735
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -0.795
tors. eta vs tors. theta energy: -2.720
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: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -89.012891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.012891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.012891 (E_RNA)
where:
Base-Base interactions energy: -42.324
where: short stacking energy: -16.499
Base-Backbone interact. energy: -0.152
local terms energy: -46.536379
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -205.815895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.815895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.815895 (E_RNA)
where:
Base-Base interactions energy: -141.033
where: short stacking energy: -67.564
Base-Backbone interact. energy: -0.019
local terms energy: -64.763974
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -200.616533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.616533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.616533 (E_RNA)
where:
Base-Base interactions energy: -132.925
where: short stacking energy: -54.050
Base-Backbone interact. energy: -0.152
local terms energy: -67.538694
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -187.538347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.538347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.538347 (E_RNA)
where:
Base-Base interactions energy: -119.288
where: short stacking energy: -53.466
Base-Backbone interact. energy: -0.157
local terms energy: -68.093066
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -165.950106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.950106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.950106 (E_RNA)
where:
Base-Base interactions energy: -101.887
where: short stacking energy: -49.534
Base-Backbone interact. energy: -0.065
local terms energy: -63.997861
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -14.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -151.937566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.937566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.937566 (E_RNA)
where:
Base-Base interactions energy: -98.288
where: short stacking energy: -41.769
Base-Backbone interact. energy: -0.021
local terms energy: -53.628879
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -84.827684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.827684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.827684 (E_RNA)
where:
Base-Base interactions energy: -32.857
where: short stacking energy: -25.793
Base-Backbone interact. energy: -0.374
local terms energy: -51.596263
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -9.312
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: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -91.461418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.461418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.461418 (E_RNA)
where:
Base-Base interactions energy: -31.738
where: short stacking energy: -31.687
Base-Backbone interact. energy: -0.190
local terms energy: -59.533689
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -77.645643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.645643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.645643 (E_RNA)
where:
Base-Base interactions energy: -29.623
where: short stacking energy: -29.623
Base-Backbone interact. energy: -0.165
local terms energy: -47.857367
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -9.105
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: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -83.604735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.604735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.604735 (E_RNA)
where:
Base-Base interactions energy: -40.782
where: short stacking energy: -35.365
Base-Backbone interact. energy: 0.225
local terms energy: -43.047518
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -1.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -68.940961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.940961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.940961 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -14.047
Base-Backbone interact. energy: -0.902
local terms energy: -35.316328
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: 4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -213.952964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.952964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.952964 (E_RNA)
where:
Base-Base interactions energy: -142.851
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.195
local terms energy: -70.907435
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -19.434
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: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -197.613890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.613890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.613890 (E_RNA)
where:
Base-Base interactions energy: -127.787
where: short stacking energy: -48.562
Base-Backbone interact. energy: -0.041
local terms energy: -69.785341
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -175.939462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.939462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.939462 (E_RNA)
where:
Base-Base interactions energy: -107.886
where: short stacking energy: -52.458
Base-Backbone interact. energy: -0.067
local terms energy: -67.986100
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -192.617551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.617551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.617551 (E_RNA)
where:
Base-Base interactions energy: -127.672
where: short stacking energy: -52.417
Base-Backbone interact. energy: -0.088
local terms energy: -64.856887
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -147.194508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.194508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.194508 (E_RNA)
where:
Base-Base interactions energy: -96.479
where: short stacking energy: -46.137
Base-Backbone interact. energy: -0.039
local terms energy: -50.675867
where:
bonds (distance) C4'-P energy: -8.551
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -86.945222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.945222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.945222 (E_RNA)
where:
Base-Base interactions energy: -31.482
where: short stacking energy: -30.687
Base-Backbone interact. energy: 0.041
local terms energy: -55.504015
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -85.765234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.765234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.765234 (E_RNA)
where:
Base-Base interactions energy: -39.952
where: short stacking energy: -28.805
Base-Backbone interact. energy: 0.858
local terms energy: -46.671947
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -8.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -85.282285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.282285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.282285 (E_RNA)
where:
Base-Base interactions energy: -36.659
where: short stacking energy: -27.179
Base-Backbone interact. energy: -0.166
local terms energy: -48.457940
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -84.055082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.055082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.055082 (E_RNA)
where:
Base-Base interactions energy: -28.848
where: short stacking energy: -25.392
Base-Backbone interact. energy: -0.255
local terms energy: -54.952680
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -7.400
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: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -100.163132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.163132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.163132 (E_RNA)
where:
Base-Base interactions energy: -50.065
where: short stacking energy: -30.388
Base-Backbone interact. energy: -0.523
local terms energy: -49.574874
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -7.753
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -3.195
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -202.068759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.068759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.068759 (E_RNA)
where:
Base-Base interactions energy: -138.149
where: short stacking energy: -61.246
Base-Backbone interact. energy: -0.232
local terms energy: -63.687758
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -212.238160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.238160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.238160 (E_RNA)
where:
Base-Base interactions energy: -145.114
where: short stacking energy: -68.939
Base-Backbone interact. energy: -0.002
local terms energy: -67.122800
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -180.427498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.427498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.427498 (E_RNA)
where:
Base-Base interactions energy: -110.199
where: short stacking energy: -49.497
Base-Backbone interact. energy: -0.095
local terms energy: -70.133357
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -14.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -190.162716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.162716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.162716 (E_RNA)
where:
Base-Base interactions energy: -123.854
where: short stacking energy: -57.034
Base-Backbone interact. energy: -0.232
local terms energy: -66.076231
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -149.622070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.622070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.622070 (E_RNA)
where:
Base-Base interactions energy: -92.429
where: short stacking energy: -44.563
Base-Backbone interact. energy: -0.058
local terms energy: -57.134942
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -102.132594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.132594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.132594 (E_RNA)
where:
Base-Base interactions energy: -53.433
where: short stacking energy: -39.083
Base-Backbone interact. energy: -0.256
local terms energy: -48.443423
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -112.883026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.883026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.883026 (E_RNA)
where:
Base-Base interactions energy: -54.357
where: short stacking energy: -39.073
Base-Backbone interact. energy: 1.066
local terms energy: -59.591778
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -80.118156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.118156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.118156 (E_RNA)
where:
Base-Base interactions energy: -30.305
where: short stacking energy: -30.305
Base-Backbone interact. energy: -0.110
local terms energy: -49.703410
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -8.881
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: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -78.611812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.611812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.611812 (E_RNA)
where:
Base-Base interactions energy: -31.006
where: short stacking energy: -28.160
Base-Backbone interact. energy: 1.100
local terms energy: -48.706156
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -3.339
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: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -73.188764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.188764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.188764 (E_RNA)
where:
Base-Base interactions energy: -31.677
where: short stacking energy: -19.862
Base-Backbone interact. energy: -0.170
local terms energy: -41.341746
where:
bonds (distance) C4'-P energy: -4.997
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -208.093292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.093292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.093292 (E_RNA)
where:
Base-Base interactions energy: -133.839
where: short stacking energy: -63.009
Base-Backbone interact. energy: -0.001
local terms energy: -74.252703
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -16.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -198.406022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.406022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.406022 (E_RNA)
where:
Base-Base interactions energy: -125.474
where: short stacking energy: -56.244
Base-Backbone interact. energy: 1.174
local terms energy: -74.105694
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -187.863509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.863509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.863509 (E_RNA)
where:
Base-Base interactions energy: -126.606
where: short stacking energy: -59.984
Base-Backbone interact. energy: -0.059
local terms energy: -61.198198
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -161.117009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.117009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.117009 (E_RNA)
where:
Base-Base interactions energy: -97.161
where: short stacking energy: -39.661
Base-Backbone interact. energy: -0.287
local terms energy: -63.669303
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -11.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -166.811744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.811744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.811744 (E_RNA)
where:
Base-Base interactions energy: -97.643
where: short stacking energy: -44.454
Base-Backbone interact. energy: -0.638
local terms energy: -68.530613
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -16.452
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: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -82.338636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.338636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.338636 (E_RNA)
where:
Base-Base interactions energy: -25.113
where: short stacking energy: -23.418
Base-Backbone interact. energy: -0.266
local terms energy: -56.959431
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -121.969504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.969504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.969504 (E_RNA)
where:
Base-Base interactions energy: -64.911
where: short stacking energy: -37.197
Base-Backbone interact. energy: -0.137
local terms energy: -56.921529
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -7.317
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: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -73.253737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.253737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.253737 (E_RNA)
where:
Base-Base interactions energy: -26.326
where: short stacking energy: -19.703
Base-Backbone interact. energy: -0.191
local terms energy: -46.736494
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -7.949
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: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -87.684293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.684293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.684293 (E_RNA)
where:
Base-Base interactions energy: -32.783
where: short stacking energy: -32.783
Base-Backbone interact. energy: -0.004
local terms energy: -54.897024
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -5.353
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: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -79.975095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.975095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.975095 (E_RNA)
where:
Base-Base interactions energy: -30.011
where: short stacking energy: -26.967
Base-Backbone interact. energy: 0.426
local terms energy: -50.390490
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -9.913
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: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -216.431698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.431698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.431698 (E_RNA)
where:
Base-Base interactions energy: -146.437
where: short stacking energy: -67.268
Base-Backbone interact. energy: -0.325
local terms energy: -69.670013
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -21.211
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: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -190.707067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.707067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.707067 (E_RNA)
where:
Base-Base interactions energy: -124.453
where: short stacking energy: -51.162
Base-Backbone interact. energy: -0.024
local terms energy: -66.230399
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -13.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -200.570249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.570249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.570249 (E_RNA)
where:
Base-Base interactions energy: -133.989
where: short stacking energy: -53.987
Base-Backbone interact. energy: -0.668
local terms energy: -65.912452
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -176.948654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.948654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.948654 (E_RNA)
where:
Base-Base interactions energy: -114.483
where: short stacking energy: -51.569
Base-Backbone interact. energy: -0.176
local terms energy: -62.288905
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -3.608
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -171.882676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.882676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.882676 (E_RNA)
where:
Base-Base interactions energy: -105.777
where: short stacking energy: -51.211
Base-Backbone interact. energy: -0.101
local terms energy: -66.005148
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -116.859632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.859632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.859632 (E_RNA)
where:
Base-Base interactions energy: -70.120
where: short stacking energy: -39.608
Base-Backbone interact. energy: -0.426
local terms energy: -46.313501
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -7.500
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -86.939229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.939229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.939229 (E_RNA)
where:
Base-Base interactions energy: -38.209
where: short stacking energy: -24.367
Base-Backbone interact. energy: -0.111
local terms energy: -48.619001
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -9.378
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: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -77.071787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.071787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.071787 (E_RNA)
where:
Base-Base interactions energy: -30.297
where: short stacking energy: -26.721
Base-Backbone interact. energy: -0.110
local terms energy: -46.665076
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -82.169198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.169198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.169198 (E_RNA)
where:
Base-Base interactions energy: -39.047
where: short stacking energy: -23.307
Base-Backbone interact. energy: -0.544
local terms energy: -42.578105
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -2.888
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: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -75.122300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.122300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.122300 (E_RNA)
where:
Base-Base interactions energy: -23.226
where: short stacking energy: -21.986
Base-Backbone interact. energy: -0.170
local terms energy: -51.726797
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -2.763
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -201.285399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.285399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.285399 (E_RNA)
where:
Base-Base interactions energy: -130.266
where: short stacking energy: -56.736
Base-Backbone interact. energy: -0.077
local terms energy: -70.942419
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -206.160240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.160240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.160240 (E_RNA)
where:
Base-Base interactions energy: -137.861
where: short stacking energy: -59.110
Base-Backbone interact. energy: -0.516
local terms energy: -67.782879
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -199.631439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.631439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.631439 (E_RNA)
where:
Base-Base interactions energy: -133.277
where: short stacking energy: -67.102
Base-Backbone interact. energy: -0.004
local terms energy: -66.350663
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -170.698847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.698847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.698847 (E_RNA)
where:
Base-Base interactions energy: -105.673
where: short stacking energy: -45.134
Base-Backbone interact. energy: -0.273
local terms energy: -64.752120
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -158.490471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.490471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.490471 (E_RNA)
where:
Base-Base interactions energy: -98.165
where: short stacking energy: -53.560
Base-Backbone interact. energy: -0.821
local terms energy: -59.504467
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -105.266723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.266723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.266723 (E_RNA)
where:
Base-Base interactions energy: -49.966
where: short stacking energy: -12.222
Base-Backbone interact. energy: -0.854
local terms energy: -54.446049
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -5.385
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: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -81.468967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.468967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.468967 (E_RNA)
where:
Base-Base interactions energy: -33.042
where: short stacking energy: -28.849
Base-Backbone interact. energy: -0.189
local terms energy: -48.238589
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -6.777
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: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -83.090769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.090769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.090769 (E_RNA)
where:
Base-Base interactions energy: -35.436
where: short stacking energy: -20.929
Base-Backbone interact. energy: 0.384
local terms energy: -48.038405
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -83.716621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.716621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.716621 (E_RNA)
where:
Base-Base interactions energy: -27.948
where: short stacking energy: -27.481
Base-Backbone interact. energy: 0.223
local terms energy: -55.991466
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -7.207
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: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -69.003576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.003576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.003576 (E_RNA)
where:
Base-Base interactions energy: -26.718
where: short stacking energy: -25.987
Base-Backbone interact. energy: 2.240
local terms energy: -44.525400
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: -0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -211.064987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.064987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.064987 (E_RNA)
where:
Base-Base interactions energy: -138.605
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.013
local terms energy: -72.446809
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -20.981
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: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -205.828523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.828523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.828523 (E_RNA)
where:
Base-Base interactions energy: -145.877
where: short stacking energy: -61.824
Base-Backbone interact. energy: 0.300
local terms energy: -60.251889
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -3.389
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -203.351615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.351615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.351615 (E_RNA)
where:
Base-Base interactions energy: -130.079
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.450
local terms energy: -72.823015
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -162.430097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.430097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.430097 (E_RNA)
where:
Base-Base interactions energy: -102.965
where: short stacking energy: -41.099
Base-Backbone interact. energy: -0.229
local terms energy: -59.235863
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -6.627
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: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -167.538342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.538342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.538342 (E_RNA)
where:
Base-Base interactions energy: -103.820
where: short stacking energy: -50.341
Base-Backbone interact. energy: 2.078
local terms energy: -65.796531
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -101.123200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.123200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.123200 (E_RNA)
where:
Base-Base interactions energy: -57.256
where: short stacking energy: -34.154
Base-Backbone interact. energy: -0.703
local terms energy: -43.163927
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -1.684
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: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -110.794876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.794876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.794876 (E_RNA)
where:
Base-Base interactions energy: -56.276
where: short stacking energy: -38.013
Base-Backbone interact. energy: -0.005
local terms energy: -54.514148
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -12.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -88.261018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.261018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.261018 (E_RNA)
where:
Base-Base interactions energy: -34.849
where: short stacking energy: -24.605
Base-Backbone interact. energy: -0.101
local terms energy: -53.310929
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -10.823
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: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -82.746311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.746311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.746311 (E_RNA)
where:
Base-Base interactions energy: -28.981
where: short stacking energy: -24.365
Base-Backbone interact. energy: -0.157
local terms energy: -53.608456
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -69.658694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.658694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.658694 (E_RNA)
where:
Base-Base interactions energy: -27.679
where: short stacking energy: -14.450
Base-Backbone interact. energy: -0.154
local terms energy: -41.824968
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -7.451
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: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -212.691212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.691212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.691212 (E_RNA)
where:
Base-Base interactions energy: -139.037
where: short stacking energy: -63.548
Base-Backbone interact. energy: -0.001
local terms energy: -73.653919
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -20.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -201.363571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.363571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.363571 (E_RNA)
where:
Base-Base interactions energy: -135.346
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.236
local terms energy: -65.781032
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -204.709191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.709191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.709191 (E_RNA)
where:
Base-Base interactions energy: -137.426
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.002
local terms energy: -67.281704
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -169.016510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.016510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.016510 (E_RNA)
where:
Base-Base interactions energy: -105.530
where: short stacking energy: -45.266
Base-Backbone interact. energy: -0.173
local terms energy: -63.314025
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -14.258
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: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -109.620723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.620723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.620723 (E_RNA)
where:
Base-Base interactions energy: -57.342
where: short stacking energy: -36.165
Base-Backbone interact. energy: 1.688
local terms energy: -53.966330
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -161.492638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.492638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.492638 (E_RNA)
where:
Base-Base interactions energy: -106.980
where: short stacking energy: -43.250
Base-Backbone interact. energy: -0.616
local terms energy: -53.896339
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -11.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -91.791259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.791259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.791259 (E_RNA)
where:
Base-Base interactions energy: -40.173
where: short stacking energy: -32.162
Base-Backbone interact. energy: 0.695
local terms energy: -52.312936
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -5.051
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: 8, replica: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -101.097604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.097604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.097604 (E_RNA)
where:
Base-Base interactions energy: -48.092
where: short stacking energy: -46.869
Base-Backbone interact. energy: -0.028
local terms energy: -52.978200
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -8.623
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -9.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -95.733215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.733215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.733215 (E_RNA)
where:
Base-Base interactions energy: -44.310
where: short stacking energy: -29.743
Base-Backbone interact. energy: 0.546
local terms energy: -51.970163
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -6.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -80.633721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.633721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.633721 (E_RNA)
where:
Base-Base interactions energy: -28.508
where: short stacking energy: -27.652
Base-Backbone interact. energy: -0.056
local terms energy: -52.069736
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -2.444
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: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -209.840398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.840398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.840398 (E_RNA)
where:
Base-Base interactions energy: -140.852
where: short stacking energy: -60.144
Base-Backbone interact. energy: -0.009
local terms energy: -68.979433
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -200.145391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.145391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.145391 (E_RNA)
where:
Base-Base interactions energy: -135.721
where: short stacking energy: -61.183
Base-Backbone interact. energy: 0.165
local terms energy: -64.589153
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -12.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -194.473433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.473433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.473433 (E_RNA)
where:
Base-Base interactions energy: -131.991
where: short stacking energy: -58.954
Base-Backbone interact. energy: -0.010
local terms energy: -62.472525
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -3.530
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -169.900274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.900274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.900274 (E_RNA)
where:
Base-Base interactions energy: -104.832
where: short stacking energy: -43.506
Base-Backbone interact. energy: -0.173
local terms energy: -64.894855
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -114.404464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.404464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.404464 (E_RNA)
where:
Base-Base interactions energy: -58.434
where: short stacking energy: -33.555
Base-Backbone interact. energy: -0.155
local terms energy: -55.815832
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -9.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -86.954599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.954599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.954599 (E_RNA)
where:
Base-Base interactions energy: -43.028
where: short stacking energy: -28.713
Base-Backbone interact. energy: -0.193
local terms energy: -43.733481
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: 2.684
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: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -146.211475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.211475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.211475 (E_RNA)
where:
Base-Base interactions energy: -88.273
where: short stacking energy: -49.335
Base-Backbone interact. energy: -0.021
local terms energy: -57.917561
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -87.004890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.004890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.004890 (E_RNA)
where:
Base-Base interactions energy: -44.993
where: short stacking energy: -34.568
Base-Backbone interact. energy: -0.660
local terms energy: -41.352432
where:
bonds (distance) C4'-P energy: -7.840
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -69.307554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.307554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.307554 (E_RNA)
where:
Base-Base interactions energy: -28.746
where: short stacking energy: -29.546
Base-Backbone interact. energy: -0.060
local terms energy: -40.501496
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -6.391
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: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -90.797578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.797578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.797578 (E_RNA)
where:
Base-Base interactions energy: -31.047
where: short stacking energy: -31.047
Base-Backbone interact. energy: 0.851
local terms energy: -60.600923
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -201.978833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.978833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.978833 (E_RNA)
where:
Base-Base interactions energy: -133.848
where: short stacking energy: -57.066
Base-Backbone interact. energy: -0.374
local terms energy: -67.756233
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -18.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -200.902600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.902600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.902600 (E_RNA)
where:
Base-Base interactions energy: -136.923
where: short stacking energy: -54.951
Base-Backbone interact. energy: -0.226
local terms energy: -63.753354
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -172.249269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.249269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.249269 (E_RNA)
where:
Base-Base interactions energy: -105.701
where: short stacking energy: -52.130
Base-Backbone interact. energy: -0.048
local terms energy: -66.500182
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -186.565338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.565338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.565338 (E_RNA)
where:
Base-Base interactions energy: -120.777
where: short stacking energy: -59.777
Base-Backbone interact. energy: -0.126
local terms energy: -65.662059
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -17.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -120.473608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.473608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.473608 (E_RNA)
where:
Base-Base interactions energy: -66.045
where: short stacking energy: -32.190
Base-Backbone interact. energy: 0.137
local terms energy: -54.564873
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -85.990294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.990294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.990294 (E_RNA)
where:
Base-Base interactions energy: -36.968
where: short stacking energy: -27.004
Base-Backbone interact. energy: -0.048
local terms energy: -48.974228
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -8.152
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: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -138.762222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.762222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.762222 (E_RNA)
where:
Base-Base interactions energy: -84.882
where: short stacking energy: -37.619
Base-Backbone interact. energy: -0.156
local terms energy: -53.723952
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -79.555086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.555086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.555086 (E_RNA)
where:
Base-Base interactions energy: -37.537
where: short stacking energy: -24.566
Base-Backbone interact. energy: 0.800
local terms energy: -42.817990
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -4.969
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: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -75.069986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.069986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.069986 (E_RNA)
where:
Base-Base interactions energy: -25.884
where: short stacking energy: -25.347
Base-Backbone interact. energy: -0.086
local terms energy: -49.100019
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -89.769168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.769168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.769168 (E_RNA)
where:
Base-Base interactions energy: -39.422
where: short stacking energy: -31.045
Base-Backbone interact. energy: -0.177
local terms energy: -50.170790
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -211.828218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.828218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.828218 (E_RNA)
where:
Base-Base interactions energy: -133.134
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.076
local terms energy: -78.617796
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -22.464
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: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -203.890150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.890150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.890150 (E_RNA)
where:
Base-Base interactions energy: -135.284
where: short stacking energy: -56.988
Base-Backbone interact. energy: -0.081
local terms energy: -68.524855
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -17.585
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: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -182.595972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.595972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.595972 (E_RNA)
where:
Base-Base interactions energy: -111.677
where: short stacking energy: -52.505
Base-Backbone interact. energy: -0.096
local terms energy: -70.822309
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -194.557929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.557929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.557929 (E_RNA)
where:
Base-Base interactions energy: -122.638
where: short stacking energy: -54.846
Base-Backbone interact. energy: -0.005
local terms energy: -71.915434
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -129.158626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.158626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.158626 (E_RNA)
where:
Base-Base interactions energy: -69.525
where: short stacking energy: -45.470
Base-Backbone interact. energy: -0.329
local terms energy: -59.305170
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -8.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -141.903378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.903378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.903378 (E_RNA)
where:
Base-Base interactions energy: -90.048
where: short stacking energy: -38.528
Base-Backbone interact. energy: -0.060
local terms energy: -51.795054
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -5.537
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: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -89.873614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.873614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.873614 (E_RNA)
where:
Base-Base interactions energy: -36.073
where: short stacking energy: -33.288
Base-Backbone interact. energy: -0.051
local terms energy: -53.749152
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -77.181290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.181290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.181290 (E_RNA)
where:
Base-Base interactions energy: -31.048
where: short stacking energy: -31.048
Base-Backbone interact. energy: -0.152
local terms energy: -45.980854
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -74.836862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.836862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.836862 (E_RNA)
where:
Base-Base interactions energy: -23.255
where: short stacking energy: -21.302
Base-Backbone interact. energy: 0.601
local terms energy: -52.182191
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -4.220
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: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -84.928942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.928942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.928942 (E_RNA)
where:
Base-Base interactions energy: -34.722
where: short stacking energy: -29.821
Base-Backbone interact. energy: -0.070
local terms energy: -50.136582
where:
bonds (distance) C4'-P energy: -7.189
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -5.695
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: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -197.709837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.709837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.709837 (E_RNA)
where:
Base-Base interactions energy: -125.585
where: short stacking energy: -59.372
Base-Backbone interact. energy: -0.551
local terms energy: -71.574470
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -202.316205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.316205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.316205 (E_RNA)
where:
Base-Base interactions energy: -130.835
where: short stacking energy: -58.932
Base-Backbone interact. energy: -0.041
local terms energy: -71.441068
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -207.918842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.918842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.918842 (E_RNA)
where:
Base-Base interactions energy: -136.606
where: short stacking energy: -63.716
Base-Backbone interact. energy: -0.817
local terms energy: -70.496038
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -19.197
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: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -170.736957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.736957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.736957 (E_RNA)
where:
Base-Base interactions energy: -111.939
where: short stacking energy: -43.571
Base-Backbone interact. energy: -0.427
local terms energy: -58.371376
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -1.810
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -155.678432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.678432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.678432 (E_RNA)
where:
Base-Base interactions energy: -93.152
where: short stacking energy: -38.291
Base-Backbone interact. energy: -0.100
local terms energy: -62.426327
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -94.409532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.409532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.409532 (E_RNA)
where:
Base-Base interactions energy: -39.882
where: short stacking energy: -27.830
Base-Backbone interact. energy: -0.982
local terms energy: -53.546079
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -93.070958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.070958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.070958 (E_RNA)
where:
Base-Base interactions energy: -34.049
where: short stacking energy: -34.049
Base-Backbone interact. energy: 1.000
local terms energy: -60.021640
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -86.741885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.741885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.741885 (E_RNA)
where:
Base-Base interactions energy: -31.462
where: short stacking energy: -31.160
Base-Backbone interact. energy: -0.405
local terms energy: -54.874283
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -84.968135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.968135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.968135 (E_RNA)
where:
Base-Base interactions energy: -37.240
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.155
local terms energy: -47.572523
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -0.819
tors. eta vs tors. theta energy: -12.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -83.902727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.902727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.902727 (E_RNA)
where:
Base-Base interactions energy: -33.281
where: short stacking energy: -33.281
Base-Backbone interact. energy: -0.012
local terms energy: -50.608888
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -9.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -207.156851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.156851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.156851 (E_RNA)
where:
Base-Base interactions energy: -137.606
where: short stacking energy: -58.173
Base-Backbone interact. energy: -0.294
local terms energy: -69.256583
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -198.860799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.860799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.860799 (E_RNA)
where:
Base-Base interactions energy: -134.474
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.002
local terms energy: -64.384925
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -17.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -204.095567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.095567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.095567 (E_RNA)
where:
Base-Base interactions energy: -133.497
where: short stacking energy: -62.809
Base-Backbone interact. energy: -0.101
local terms energy: -70.496999
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -19.508
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: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -167.041174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.041174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.041174 (E_RNA)
where:
Base-Base interactions energy: -101.416
where: short stacking energy: -50.731
Base-Backbone interact. energy: -0.109
local terms energy: -65.516791
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -143.004475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.004475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.004475 (E_RNA)
where:
Base-Base interactions energy: -81.412
where: short stacking energy: -37.104
Base-Backbone interact. energy: -0.054
local terms energy: -61.537529
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -11.702
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: 383
Temperature: 1.150000
Total energy: -90.567689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.567689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.567689 (E_RNA)
where:
Base-Base interactions energy: -32.813
where: short stacking energy: -26.129
Base-Backbone interact. energy: -0.362
local terms energy: -57.392518
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -8.828
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: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -83.652081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.652081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.652081 (E_RNA)
where:
Base-Base interactions energy: -33.154
where: short stacking energy: -33.154
Base-Backbone interact. energy: -0.133
local terms energy: -50.364813
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -9.212
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -85.942697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.942697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.942697 (E_RNA)
where:
Base-Base interactions energy: -31.905
where: short stacking energy: -22.801
Base-Backbone interact. energy: 0.383
local terms energy: -54.420818
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -83.766155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.766155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.766155 (E_RNA)
where:
Base-Base interactions energy: -41.171
where: short stacking energy: -18.838
Base-Backbone interact. energy: 0.160
local terms energy: -42.755243
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: 4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -79.942929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.942929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.942929 (E_RNA)
where:
Base-Base interactions energy: -29.518
where: short stacking energy: -22.219
Base-Backbone interact. energy: -0.212
local terms energy: -50.213213
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -212.476657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.476657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.476657 (E_RNA)
where:
Base-Base interactions energy: -138.461
where: short stacking energy: -61.266
Base-Backbone interact. energy: -0.001
local terms energy: -74.014315
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -17.598
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: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -212.291410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.291410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.291410 (E_RNA)
where:
Base-Base interactions energy: -137.775
where: short stacking energy: -58.505
Base-Backbone interact. energy: -0.590
local terms energy: -73.926911
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -201.407874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.407874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.407874 (E_RNA)
where:
Base-Base interactions energy: -133.122
where: short stacking energy: -57.495
Base-Backbone interact. energy: -0.380
local terms energy: -67.906384
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -160.746855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.746855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.746855 (E_RNA)
where:
Base-Base interactions energy: -106.741
where: short stacking energy: -44.102
Base-Backbone interact. energy: -1.187
local terms energy: -52.818463
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -8.279
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -151.643579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.643579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.643579 (E_RNA)
where:
Base-Base interactions energy: -87.464
where: short stacking energy: -39.766
Base-Backbone interact. energy: -0.154
local terms energy: -64.025739
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -95.163842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.163842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.163842 (E_RNA)
where:
Base-Base interactions energy: -38.173
where: short stacking energy: -38.173
Base-Backbone interact. energy: -0.103
local terms energy: -56.887411
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -3.942
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: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -83.684817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.684817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.684817 (E_RNA)
where:
Base-Base interactions energy: -27.409
where: short stacking energy: -23.791
Base-Backbone interact. energy: -0.840
local terms energy: -55.435351
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -76.176611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.176611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.176611 (E_RNA)
where:
Base-Base interactions energy: -28.924
where: short stacking energy: -28.924
Base-Backbone interact. energy: -0.147
local terms energy: -47.105755
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -71.430292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.430292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.430292 (E_RNA)
where:
Base-Base interactions energy: -29.500
where: short stacking energy: -27.583
Base-Backbone interact. energy: 0.109
local terms energy: -42.038843
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -0.899
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: 384
Temperature: 1.350000
Total energy: -73.905568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.905568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.905568 (E_RNA)
where:
Base-Base interactions energy: -27.155
where: short stacking energy: -24.774
Base-Backbone interact. energy: 2.398
local terms energy: -49.148450
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -211.711556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.711556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.711556 (E_RNA)
where:
Base-Base interactions energy: -134.122
where: short stacking energy: -60.765
Base-Backbone interact. energy: -0.798
local terms energy: -76.792122
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -198.574184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.574184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.574184 (E_RNA)
where:
Base-Base interactions energy: -130.356
where: short stacking energy: -57.072
Base-Backbone interact. energy: -0.001
local terms energy: -68.217110
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -189.411597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.411597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.411597 (E_RNA)
where:
Base-Base interactions energy: -125.730
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.017
local terms energy: -63.665340
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -4.014
tors. eta vs tors. theta energy: -17.295
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: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -159.706276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.706276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.706276 (E_RNA)
where:
Base-Base interactions energy: -94.009
where: short stacking energy: -39.203
Base-Backbone interact. energy: -0.044
local terms energy: -65.653326
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -158.296380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.296380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.296380 (E_RNA)
where:
Base-Base interactions energy: -93.920
where: short stacking energy: -51.683
Base-Backbone interact. energy: -0.046
local terms energy: -64.331013
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -97.665517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.665517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.665517 (E_RNA)
where:
Base-Base interactions energy: -42.801
where: short stacking energy: -42.801
Base-Backbone interact. energy: -0.002
local terms energy: -54.862545
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -7.212
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: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -81.300986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.300986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.300986 (E_RNA)
where:
Base-Base interactions energy: -37.474
where: short stacking energy: -25.512
Base-Backbone interact. energy: -0.313
local terms energy: -43.513553
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: 0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -86.242100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.242100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.242100 (E_RNA)
where:
Base-Base interactions energy: -34.573
where: short stacking energy: -31.866
Base-Backbone interact. energy: -0.046
local terms energy: -51.622701
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -86.376849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.376849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.376849 (E_RNA)
where:
Base-Base interactions energy: -38.373
where: short stacking energy: -38.373
Base-Backbone interact. energy: -0.116
local terms energy: -47.887194
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -4.161
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: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -77.039182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.039182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.039182 (E_RNA)
where:
Base-Base interactions energy: -30.884
where: short stacking energy: -20.823
Base-Backbone interact. energy: -0.256
local terms energy: -45.899401
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -7.644
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: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -202.826228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.826228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.826228 (E_RNA)
where:
Base-Base interactions energy: -134.763
where: short stacking energy: -63.996
Base-Backbone interact. energy: -0.121
local terms energy: -67.942267
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -19.041
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: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -207.087270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.087270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.087270 (E_RNA)
where:
Base-Base interactions energy: -142.061
where: short stacking energy: -66.318
Base-Backbone interact. energy: -0.025
local terms energy: -65.001660
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -19.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -162.662196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.662196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.662196 (E_RNA)
where:
Base-Base interactions energy: -97.051
where: short stacking energy: -51.556
Base-Backbone interact. energy: -0.001
local terms energy: -65.610086
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -195.743439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.743439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.743439 (E_RNA)
where:
Base-Base interactions energy: -121.211
where: short stacking energy: -59.535
Base-Backbone interact. energy: -0.291
local terms energy: -74.241116
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -19.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -174.890079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.890079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.890079 (E_RNA)
where:
Base-Base interactions energy: -107.798
where: short stacking energy: -48.737
Base-Backbone interact. energy: -0.540
local terms energy: -66.552780
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -17.052
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: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -94.753560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.753560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.753560 (E_RNA)
where:
Base-Base interactions energy: -37.686
where: short stacking energy: -33.566
Base-Backbone interact. energy: -0.011
local terms energy: -57.055888
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -90.703136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.703136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.703136 (E_RNA)
where:
Base-Base interactions energy: -43.938
where: short stacking energy: -22.979
Base-Backbone interact. energy: -0.244
local terms energy: -46.520853
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -8.841
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -76.567221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.567221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.567221 (E_RNA)
where:
Base-Base interactions energy: -34.115
where: short stacking energy: -29.143
Base-Backbone interact. energy: 0.527
local terms energy: -42.979203
where:
bonds (distance) C4'-P energy: -8.445
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: 0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -76.009680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.009680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.009680 (E_RNA)
where:
Base-Base interactions energy: -23.765
where: short stacking energy: -21.625
Base-Backbone interact. energy: -0.573
local terms energy: -51.671515
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -75.871218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.871218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.871218 (E_RNA)
where:
Base-Base interactions energy: -25.909
where: short stacking energy: -25.232
Base-Backbone interact. energy: 0.640
local terms energy: -50.602389
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: 0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -206.264794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.264794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.264794 (E_RNA)
where:
Base-Base interactions energy: -136.256
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.018
local terms energy: -69.990935
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -200.400811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.400811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.400811 (E_RNA)
where:
Base-Base interactions energy: -128.588
where: short stacking energy: -53.141
Base-Backbone interact. energy: -0.098
local terms energy: -71.714458
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -19.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -163.909521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.909521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.909521 (E_RNA)
where:
Base-Base interactions energy: -99.213
where: short stacking energy: -49.005
Base-Backbone interact. energy: -0.168
local terms energy: -64.529050
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -11.342
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: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -188.880158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.880158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.880158 (E_RNA)
where:
Base-Base interactions energy: -132.840
where: short stacking energy: -56.585
Base-Backbone interact. energy: -0.002
local terms energy: -56.038122
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -2.628
tors. eta vs tors. theta energy: -17.956
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: 387
Temperature: 1.100000
Total energy: -172.103216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.103216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.103216 (E_RNA)
where:
Base-Base interactions energy: -99.889
where: short stacking energy: -46.983
Base-Backbone interact. energy: -0.093
local terms energy: -72.121635
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -99.503250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.503250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.503250 (E_RNA)
where:
Base-Base interactions energy: -45.938
where: short stacking energy: -32.963
Base-Backbone interact. energy: -0.107
local terms energy: -53.459102
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -106.350290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.350290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.350290 (E_RNA)
where:
Base-Base interactions energy: -54.617
where: short stacking energy: -38.819
Base-Backbone interact. energy: -1.143
local terms energy: -50.589678
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -7.876
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -8.919
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: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -83.767642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.767642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.767642 (E_RNA)
where:
Base-Base interactions energy: -28.705
where: short stacking energy: -24.469
Base-Backbone interact. energy: -0.284
local terms energy: -54.778204
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -76.812890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.812890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.812890 (E_RNA)
where:
Base-Base interactions energy: -28.341
where: short stacking energy: -27.217
Base-Backbone interact. energy: -0.316
local terms energy: -48.155301
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -76.950802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.950802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.950802 (E_RNA)
where:
Base-Base interactions energy: -29.488
where: short stacking energy: -29.488
Base-Backbone interact. energy: -0.207
local terms energy: -47.255716
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -3.469
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: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -207.800699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.800699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.800699 (E_RNA)
where:
Base-Base interactions energy: -140.909
where: short stacking energy: -64.021
Base-Backbone interact. energy: -0.001
local terms energy: -66.890563
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -17.734
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: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -195.632412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.632412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.632412 (E_RNA)
where:
Base-Base interactions energy: -125.312
where: short stacking energy: -51.619
Base-Backbone interact. energy: -0.069
local terms energy: -70.251892
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -196.273870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.273870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.273870 (E_RNA)
where:
Base-Base interactions energy: -123.222
where: short stacking energy: -45.588
Base-Backbone interact. energy: -0.185
local terms energy: -72.866758
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -169.992322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.992322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.992322 (E_RNA)
where:
Base-Base interactions energy: -113.680
where: short stacking energy: -45.727
Base-Backbone interact. energy: -0.145
local terms energy: -56.166601
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -162.200756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.200756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.200756 (E_RNA)
where:
Base-Base interactions energy: -102.722
where: short stacking energy: -44.637
Base-Backbone interact. energy: -0.064
local terms energy: -59.415493
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -9.328
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: 6, replica: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -93.270354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.270354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.270354 (E_RNA)
where:
Base-Base interactions energy: -47.714
where: short stacking energy: -17.788
Base-Backbone interact. energy: -0.331
local terms energy: -45.224785
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -98.474583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.474583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.474583 (E_RNA)
where:
Base-Base interactions energy: -42.887
where: short stacking energy: -37.303
Base-Backbone interact. energy: -0.888
local terms energy: -54.699215
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -109.787842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.787842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.787842 (E_RNA)
where:
Base-Base interactions energy: -59.716
where: short stacking energy: -47.356
Base-Backbone interact. energy: -0.376
local terms energy: -49.696176
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -11.608
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: 9, replica: 2
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -80.983619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.983619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.983619 (E_RNA)
where:
Base-Base interactions energy: -37.776
where: short stacking energy: -30.355
Base-Backbone interact. energy: -0.166
local terms energy: -43.041391
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -69.863379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.863379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.863379 (E_RNA)
where:
Base-Base interactions energy: -28.646
where: short stacking energy: -28.646
Base-Backbone interact. energy: -0.023
local terms energy: -41.194613
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: 2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -203.617118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.617118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.617118 (E_RNA)
where:
Base-Base interactions energy: -129.194
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.064
local terms energy: -74.359680
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -205.256945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.256945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.256945 (E_RNA)
where:
Base-Base interactions energy: -136.305
where: short stacking energy: -62.098
Base-Backbone interact. energy: -0.236
local terms energy: -68.716459
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -195.960809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.960809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.960809 (E_RNA)
where:
Base-Base interactions energy: -133.964
where: short stacking energy: -52.737
Base-Backbone interact. energy: -0.893
local terms energy: -61.103496
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -160.369217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.369217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.369217 (E_RNA)
where:
Base-Base interactions energy: -97.679
where: short stacking energy: -46.104
Base-Backbone interact. energy: -0.584
local terms energy: -62.105917
where:
bonds (distance) C4'-P energy: -7.025
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -13.301
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: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -166.558674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.558674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.558674 (E_RNA)
where:
Base-Base interactions energy: -108.058
where: short stacking energy: -48.168
Base-Backbone interact. energy: -0.032
local terms energy: -58.469038
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -13.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -88.285186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.285186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.285186 (E_RNA)
where:
Base-Base interactions energy: -33.775
where: short stacking energy: -19.331
Base-Backbone interact. energy: -0.156
local terms energy: -54.354464
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -6.112
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: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -86.658141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.658141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.658141 (E_RNA)
where:
Base-Base interactions energy: -34.288
where: short stacking energy: -33.123
Base-Backbone interact. energy: -0.092
local terms energy: -52.278919
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -9.769
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: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -78.900896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.900896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.900896 (E_RNA)
where:
Base-Base interactions energy: -31.787
where: short stacking energy: -17.764
Base-Backbone interact. energy: -0.078
local terms energy: -47.035862
where:
bonds (distance) C4'-P energy: -10.072
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -98.954087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.954087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.954087 (E_RNA)
where:
Base-Base interactions energy: -49.630
where: short stacking energy: -40.096
Base-Backbone interact. energy: -0.002
local terms energy: -49.322396
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -73.210219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.210219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.210219 (E_RNA)
where:
Base-Base interactions energy: -31.507
where: short stacking energy: -31.507
Base-Backbone interact. energy: 0.823
local terms energy: -42.525702
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -208.894456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.894456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.894456 (E_RNA)
where:
Base-Base interactions energy: -138.985
where: short stacking energy: -61.904
Base-Backbone interact. energy: -0.889
local terms energy: -69.019852
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -208.091491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.091491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.091491 (E_RNA)
where:
Base-Base interactions energy: -136.506
where: short stacking energy: -60.875
Base-Backbone interact. energy: -0.010
local terms energy: -71.574562
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -209.452569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.452569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.452569 (E_RNA)
where:
Base-Base interactions energy: -139.320
where: short stacking energy: -60.393
Base-Backbone interact. energy: -1.398
local terms energy: -68.734558
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -161.369073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.369073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.369073 (E_RNA)
where:
Base-Base interactions energy: -103.206
where: short stacking energy: -44.617
Base-Backbone interact. energy: -0.116
local terms energy: -58.047943
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -9.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -164.399271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.399271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.399271 (E_RNA)
where:
Base-Base interactions energy: -94.040
where: short stacking energy: -37.356
Base-Backbone interact. energy: -2.123
local terms energy: -68.236186
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -99.389623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.389623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.389623 (E_RNA)
where:
Base-Base interactions energy: -42.503
where: short stacking energy: -37.020
Base-Backbone interact. energy: -0.046
local terms energy: -56.840775
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -10.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -93.209899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.209899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.209899 (E_RNA)
where:
Base-Base interactions energy: -40.695
where: short stacking energy: -40.695
Base-Backbone interact. energy: -0.001
local terms energy: -52.514007
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -8.656
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: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -84.339948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.339948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.339948 (E_RNA)
where:
Base-Base interactions energy: -28.554
where: short stacking energy: -27.321
Base-Backbone interact. energy: -0.032
local terms energy: -55.754179
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -78.032883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.032883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.032883 (E_RNA)
where:
Base-Base interactions energy: -31.727
where: short stacking energy: -21.527
Base-Backbone interact. energy: 0.061
local terms energy: -46.367207
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: 1.565
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: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -65.706138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.706138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.706138 (E_RNA)
where:
Base-Base interactions energy: -19.273
where: short stacking energy: -19.273
Base-Backbone interact. energy: -0.121
local terms energy: -46.312164
where:
bonds (distance) C4'-P energy: -7.399
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -8.830
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: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -218.051820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.051820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.051820 (E_RNA)
where:
Base-Base interactions energy: -146.632
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.609
local terms energy: -70.810224
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -194.251583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.251583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.251583 (E_RNA)
where:
Base-Base interactions energy: -120.602
where: short stacking energy: -45.761
Base-Backbone interact. energy: -0.091
local terms energy: -73.558625
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -187.276203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.276203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.276203 (E_RNA)
where:
Base-Base interactions energy: -125.308
where: short stacking energy: -56.043
Base-Backbone interact. energy: -0.301
local terms energy: -61.667319
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -15.996
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: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -160.777404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.777404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.777404 (E_RNA)
where:
Base-Base interactions energy: -100.266
where: short stacking energy: -43.773
Base-Backbone interact. energy: -0.347
local terms energy: -60.163852
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -5.102
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: 5, replica: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -158.344963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.344963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.344963 (E_RNA)
where:
Base-Base interactions energy: -98.293
where: short stacking energy: -42.731
Base-Backbone interact. energy: -0.713
local terms energy: -59.338769
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -10.776
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -11.226
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: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -93.621255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.621255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.621255 (E_RNA)
where:
Base-Base interactions energy: -34.474
where: short stacking energy: -28.626
Base-Backbone interact. energy: -1.363
local terms energy: -57.784451
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -85.058557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.058557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.058557 (E_RNA)
where:
Base-Base interactions energy: -43.744
where: short stacking energy: -23.101
Base-Backbone interact. energy: 1.815
local terms energy: -43.129999
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -78.705730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.705730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.705730 (E_RNA)
where:
Base-Base interactions energy: -26.785
where: short stacking energy: -14.512
Base-Backbone interact. energy: -0.136
local terms energy: -51.784490
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -11.090
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: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -85.763215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.763215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.763215 (E_RNA)
where:
Base-Base interactions energy: -39.882
where: short stacking energy: -22.714
Base-Backbone interact. energy: -0.483
local terms energy: -45.398327
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -2.123
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: 391
Temperature: 1.350000
Total energy: -72.025772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.025772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.025772 (E_RNA)
where:
Base-Base interactions energy: -26.222
where: short stacking energy: -17.925
Base-Backbone interact. energy: -0.213
local terms energy: -45.591075
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -216.148035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.148035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.148035 (E_RNA)
where:
Base-Base interactions energy: -136.671
where: short stacking energy: -62.354
Base-Backbone interact. energy: -0.000
local terms energy: -79.477311
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -211.476526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.476526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.476526 (E_RNA)
where:
Base-Base interactions energy: -144.207
where: short stacking energy: -64.873
Base-Backbone interact. energy: -0.001
local terms energy: -67.268145
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -20.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -157.579629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.579629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.579629 (E_RNA)
where:
Base-Base interactions energy: -95.641
where: short stacking energy: -46.986
Base-Backbone interact. energy: 0.258
local terms energy: -62.196341
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -181.764265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.764265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.764265 (E_RNA)
where:
Base-Base interactions energy: -114.316
where: short stacking energy: -55.716
Base-Backbone interact. energy: -0.130
local terms energy: -67.317869
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -19.776
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: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -164.861305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.861305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.861305 (E_RNA)
where:
Base-Base interactions energy: -98.820
where: short stacking energy: -44.405
Base-Backbone interact. energy: 0.725
local terms energy: -66.766205
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -99.023061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.023061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.023061 (E_RNA)
where:
Base-Base interactions energy: -53.588
where: short stacking energy: -22.173
Base-Backbone interact. energy: -0.034
local terms energy: -45.400913
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -9.454
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: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -91.603237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.603237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.603237 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -32.555
Base-Backbone interact. energy: -0.954
local terms energy: -54.047686
where:
bonds (distance) C4'-P energy: -7.732
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -76.275434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.275434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.275434 (E_RNA)
where:
Base-Base interactions energy: -35.116
where: short stacking energy: -20.408
Base-Backbone interact. energy: -0.327
local terms energy: -40.832349
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: 1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -87.841751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.841751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.841751 (E_RNA)
where:
Base-Base interactions energy: -44.594
where: short stacking energy: -24.035
Base-Backbone interact. energy: -0.344
local terms energy: -42.904050
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -7.411
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: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -73.863015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.863015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.863015 (E_RNA)
where:
Base-Base interactions energy: -30.686
where: short stacking energy: -21.470
Base-Backbone interact. energy: -0.045
local terms energy: -43.131883
where:
bonds (distance) C4'-P energy: -8.347
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -2.387
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: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -209.716716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.716716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.716716 (E_RNA)
where:
Base-Base interactions energy: -138.218
where: short stacking energy: -66.946
Base-Backbone interact. energy: 1.051
local terms energy: -72.549518
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -198.703309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.703309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.703309 (E_RNA)
where:
Base-Base interactions energy: -126.152
where: short stacking energy: -56.337
Base-Backbone interact. energy: -0.003
local terms energy: -72.548243
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -167.176273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.176273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.176273 (E_RNA)
where:
Base-Base interactions energy: -104.799
where: short stacking energy: -48.963
Base-Backbone interact. energy: 0.882
local terms energy: -63.259278
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -12.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -202.819926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.819926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.819926 (E_RNA)
where:
Base-Base interactions energy: -136.769
where: short stacking energy: -62.236
Base-Backbone interact. energy: -0.010
local terms energy: -66.040953
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -154.150604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.150604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.150604 (E_RNA)
where:
Base-Base interactions energy: -93.411
where: short stacking energy: -38.385
Base-Backbone interact. energy: -0.031
local terms energy: -60.709113
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: -8.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -99.007840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.007840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.007840 (E_RNA)
where:
Base-Base interactions energy: -42.166
where: short stacking energy: -41.864
Base-Backbone interact. energy: -0.035
local terms energy: -56.807491
where:
bonds (distance) C4'-P energy: -8.238
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -14.266
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: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -101.976022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.976022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.976022 (E_RNA)
where:
Base-Base interactions energy: -44.434
where: short stacking energy: -30.306
Base-Backbone interact. energy: -0.119
local terms energy: -57.422733
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -75.835471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.835471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.835471 (E_RNA)
where:
Base-Base interactions energy: -30.861
where: short stacking energy: -25.827
Base-Backbone interact. energy: -0.273
local terms energy: -44.700852
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: -3.003
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: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -73.306613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.306613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.306613 (E_RNA)
where:
Base-Base interactions energy: -21.666
where: short stacking energy: -21.424
Base-Backbone interact. energy: -0.024
local terms energy: -51.617067
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -4.758
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: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -65.903800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.903800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.903800 (E_RNA)
where:
Base-Base interactions energy: -31.154
where: short stacking energy: -25.580
Base-Backbone interact. energy: 1.665
local terms energy: -36.414577
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -6.096
flat angles C4'-P-C4' energy: -8.657
flat angles P-C4'-P energy: -6.892
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: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -198.822644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.822644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.822644 (E_RNA)
where:
Base-Base interactions energy: -131.833
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.689
local terms energy: -66.300329
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -8.821
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -198.164009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.164009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.164009 (E_RNA)
where:
Base-Base interactions energy: -126.475
where: short stacking energy: -58.600
Base-Backbone interact. energy: -0.315
local terms energy: -71.373963
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -201.251649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.251649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.251649 (E_RNA)
where:
Base-Base interactions energy: -125.305
where: short stacking energy: -60.854
Base-Backbone interact. energy: -0.100
local terms energy: -75.846588
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -164.578037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.578037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.578037 (E_RNA)
where:
Base-Base interactions energy: -103.248
where: short stacking energy: -42.589
Base-Backbone interact. energy: -0.002
local terms energy: -61.327506
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -158.847551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.847551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.847551 (E_RNA)
where:
Base-Base interactions energy: -94.915
where: short stacking energy: -42.793
Base-Backbone interact. energy: -0.241
local terms energy: -63.691635
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -12.451
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: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -108.912723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.912723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.912723 (E_RNA)
where:
Base-Base interactions energy: -52.669
where: short stacking energy: -37.512
Base-Backbone interact. energy: -0.131
local terms energy: -56.112529
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -6.017
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: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -90.077916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.077916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.077916 (E_RNA)
where:
Base-Base interactions energy: -27.036
where: short stacking energy: -25.789
Base-Backbone interact. energy: -0.074
local terms energy: -62.967074
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -75.353236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.353236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.353236 (E_RNA)
where:
Base-Base interactions energy: -21.766
where: short stacking energy: -21.766
Base-Backbone interact. energy: -0.083
local terms energy: -53.504588
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -6.242
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: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -68.912389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.912389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.912389 (E_RNA)
where:
Base-Base interactions energy: -24.010
where: short stacking energy: -21.410
Base-Backbone interact. energy: -0.224
local terms energy: -44.678512
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -67.197076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.197076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.197076 (E_RNA)
where:
Base-Base interactions energy: -19.193
where: short stacking energy: -14.789
Base-Backbone interact. energy: 0.572
local terms energy: -48.575619
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: 0.101
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: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -212.893878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.893878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.893878 (E_RNA)
where:
Base-Base interactions energy: -140.841
where: short stacking energy: -65.177
Base-Backbone interact. energy: 1.112
local terms energy: -73.165142
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -200.124773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.124773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.124773 (E_RNA)
where:
Base-Base interactions energy: -130.588
where: short stacking energy: -58.887
Base-Backbone interact. energy: 0.850
local terms energy: -70.386393
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -187.663054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.663054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.663054 (E_RNA)
where:
Base-Base interactions energy: -119.106
where: short stacking energy: -55.630
Base-Backbone interact. energy: -0.144
local terms energy: -68.412757
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -155.371375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.371375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.371375 (E_RNA)
where:
Base-Base interactions energy: -100.356
where: short stacking energy: -47.431
Base-Backbone interact. energy: -0.598
local terms energy: -54.417788
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -5.555
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: 395
Temperature: 1.100000
Total energy: -161.391231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.391231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.391231 (E_RNA)
where:
Base-Base interactions energy: -98.314
where: short stacking energy: -48.295
Base-Backbone interact. energy: -0.197
local terms energy: -62.880033
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -14.062
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: 395
Temperature: 1.150000
Total energy: -100.590981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.590981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.590981 (E_RNA)
where:
Base-Base interactions energy: -44.505
where: short stacking energy: -34.174
Base-Backbone interact. energy: -0.069
local terms energy: -56.016834
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -114.617350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.617350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.617350 (E_RNA)
where:
Base-Base interactions energy: -56.916
where: short stacking energy: -32.504
Base-Backbone interact. energy: 1.651
local terms energy: -59.351999
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -74.731275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.731275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.731275 (E_RNA)
where:
Base-Base interactions energy: -19.579
where: short stacking energy: -14.934
Base-Backbone interact. energy: -0.121
local terms energy: -55.031897
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -8.442
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: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -79.347514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.347514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.347514 (E_RNA)
where:
Base-Base interactions energy: -32.103
where: short stacking energy: -25.908
Base-Backbone interact. energy: -0.007
local terms energy: -47.237477
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -7.740
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -76.956204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.956204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.956204 (E_RNA)
where:
Base-Base interactions energy: -33.202
where: short stacking energy: -32.165
Base-Backbone interact. energy: -0.079
local terms energy: -43.675050
where:
bonds (distance) C4'-P energy: -7.521
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -209.195737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.195737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.195737 (E_RNA)
where:
Base-Base interactions energy: -137.876
where: short stacking energy: -61.660
Base-Backbone interact. energy: -0.291
local terms energy: -71.028539
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -199.092656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.092656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.092656 (E_RNA)
where:
Base-Base interactions energy: -129.018
where: short stacking energy: -51.720
Base-Backbone interact. energy: -0.151
local terms energy: -69.922909
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -13.452
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: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -194.814323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.814323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.814323 (E_RNA)
where:
Base-Base interactions energy: -128.205
where: short stacking energy: -56.699
Base-Backbone interact. energy: -0.007
local terms energy: -66.601818
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -186.221334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.221334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.221334 (E_RNA)
where:
Base-Base interactions energy: -119.414
where: short stacking energy: -49.128
Base-Backbone interact. energy: -0.004
local terms energy: -66.803526
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -18.040
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: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -163.897406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.897406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.897406 (E_RNA)
where:
Base-Base interactions energy: -101.978
where: short stacking energy: -50.134
Base-Backbone interact. energy: -0.003
local terms energy: -61.916705
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -80.290460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.290460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.290460 (E_RNA)
where:
Base-Base interactions energy: -28.526
where: short stacking energy: -21.322
Base-Backbone interact. energy: -2.054
local terms energy: -49.710474
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -0.815
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: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -99.520348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.520348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.520348 (E_RNA)
where:
Base-Base interactions energy: -46.443
where: short stacking energy: -34.874
Base-Backbone interact. energy: -0.188
local terms energy: -52.888818
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -84.376316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.376316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.376316 (E_RNA)
where:
Base-Base interactions energy: -32.310
where: short stacking energy: -31.371
Base-Backbone interact. energy: -0.063
local terms energy: -52.003378
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -71.204656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.204656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.204656 (E_RNA)
where:
Base-Base interactions energy: -22.479
where: short stacking energy: -15.060
Base-Backbone interact. energy: -0.133
local terms energy: -48.591862
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -3.495
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: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -69.788282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.788282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.788282 (E_RNA)
where:
Base-Base interactions energy: -23.753
where: short stacking energy: -17.542
Base-Backbone interact. energy: -0.271
local terms energy: -45.764255
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: 2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -205.829744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.829744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.829744 (E_RNA)
where:
Base-Base interactions energy: -133.360
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.000
local terms energy: -72.468839
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -20.633
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: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -201.553387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.553387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.553387 (E_RNA)
where:
Base-Base interactions energy: -137.677
where: short stacking energy: -54.125
Base-Backbone interact. energy: -0.107
local terms energy: -63.769233
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -15.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -186.134270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.134270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.134270 (E_RNA)
where:
Base-Base interactions energy: -125.308
where: short stacking energy: -60.968
Base-Backbone interact. energy: -0.096
local terms energy: -60.730445
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -8.157
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -16.708
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: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -175.693983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.693983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.693983 (E_RNA)
where:
Base-Base interactions energy: -111.256
where: short stacking energy: -52.773
Base-Backbone interact. energy: -0.730
local terms energy: -63.708457
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -163.548417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.548417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.548417 (E_RNA)
where:
Base-Base interactions energy: -107.377
where: short stacking energy: -44.400
Base-Backbone interact. energy: -0.101
local terms energy: -56.070313
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: -12.931
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: 397
Temperature: 1.150000
Total energy: -117.132020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.132020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.132020 (E_RNA)
where:
Base-Base interactions energy: -70.193
where: short stacking energy: -28.151
Base-Backbone interact. energy: 0.217
local terms energy: -47.155809
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -108.024677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.024677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.024677 (E_RNA)
where:
Base-Base interactions energy: -54.787
where: short stacking energy: -30.806
Base-Backbone interact. energy: -0.047
local terms energy: -53.191192
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -8.622
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: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -73.856991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.856991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.856991 (E_RNA)
where:
Base-Base interactions energy: -25.682
where: short stacking energy: -14.714
Base-Backbone interact. energy: -0.191
local terms energy: -47.983552
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: 2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -71.035982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.035982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.035982 (E_RNA)
where:
Base-Base interactions energy: -26.219
where: short stacking energy: -19.779
Base-Backbone interact. energy: -0.891
local terms energy: -43.925700
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -8.186
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: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -78.816969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.816969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.816969 (E_RNA)
where:
Base-Base interactions energy: -28.782
where: short stacking energy: -28.782
Base-Backbone interact. energy: -0.305
local terms energy: -49.729523
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -7.215
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: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -206.964978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.964978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.964978 (E_RNA)
where:
Base-Base interactions energy: -137.604
where: short stacking energy: -55.203
Base-Backbone interact. energy: 0.232
local terms energy: -69.593863
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -16.198
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: 398
Temperature: 0.950000
Total energy: -211.622661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.622661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.622661 (E_RNA)
where:
Base-Base interactions energy: -141.827
where: short stacking energy: -61.506
Base-Backbone interact. energy: -0.002
local terms energy: -69.793132
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -20.091
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: 3, replica: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -182.619223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.619223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.619223 (E_RNA)
where:
Base-Base interactions energy: -122.304
where: short stacking energy: -55.399
Base-Backbone interact. energy: -0.187
local terms energy: -60.128100
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -14.490
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: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -179.288303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.288303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.288303 (E_RNA)
where:
Base-Base interactions energy: -108.526
where: short stacking energy: -49.657
Base-Backbone interact. energy: -0.261
local terms energy: -70.501602
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -14.161
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: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -162.363574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.363574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.363574 (E_RNA)
where:
Base-Base interactions energy: -106.233
where: short stacking energy: -46.653
Base-Backbone interact. energy: -0.517
local terms energy: -55.613196
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -105.381561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.381561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.381561 (E_RNA)
where:
Base-Base interactions energy: -50.757
where: short stacking energy: -24.512
Base-Backbone interact. energy: -0.111
local terms energy: -54.513213
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -7.817
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: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -94.799327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.799327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.799327 (E_RNA)
where:
Base-Base interactions energy: -42.145
where: short stacking energy: -27.185
Base-Backbone interact. energy: 0.288
local terms energy: -52.942392
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -81.435451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.435451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.435451 (E_RNA)
where:
Base-Base interactions energy: -34.225
where: short stacking energy: -29.499
Base-Backbone interact. energy: -0.149
local terms energy: -47.061262
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: 0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -72.018620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.018620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.018620 (E_RNA)
where:
Base-Base interactions energy: -26.298
where: short stacking energy: -26.298
Base-Backbone interact. energy: -0.145
local terms energy: -45.576322
where:
bonds (distance) C4'-P energy: -8.064
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -77.386695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.386695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.386695 (E_RNA)
where:
Base-Base interactions energy: -31.786
where: short stacking energy: -28.193
Base-Backbone interact. energy: -1.311
local terms energy: -44.289340
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -6.380
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -194.461120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.461120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.461120 (E_RNA)
where:
Base-Base interactions energy: -121.327
where: short stacking energy: -54.523
Base-Backbone interact. energy: -0.043
local terms energy: -73.090698
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -206.163075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.163075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.163075 (E_RNA)
where:
Base-Base interactions energy: -131.591
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.165
local terms energy: -74.407338
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -19.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -201.752090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.752090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.752090 (E_RNA)
where:
Base-Base interactions energy: -129.858
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.003
local terms energy: -71.890759
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -15.924
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: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -167.903698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.903698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.903698 (E_RNA)
where:
Base-Base interactions energy: -102.715
where: short stacking energy: -47.056
Base-Backbone interact. energy: 0.153
local terms energy: -65.341802
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -151.197189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.197189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.197189 (E_RNA)
where:
Base-Base interactions energy: -100.070
where: short stacking energy: -39.083
Base-Backbone interact. energy: -0.083
local terms energy: -51.044050
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -82.581409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.581409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.581409 (E_RNA)
where:
Base-Base interactions energy: -31.186
where: short stacking energy: -20.191
Base-Backbone interact. energy: -0.813
local terms energy: -50.582067
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -3.218
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: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -81.327146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.327146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.327146 (E_RNA)
where:
Base-Base interactions energy: -40.008
where: short stacking energy: -25.514
Base-Backbone interact. energy: 0.342
local terms energy: -41.660291
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -1.793
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -82.491367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.491367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.491367 (E_RNA)
where:
Base-Base interactions energy: -31.579
where: short stacking energy: -24.004
Base-Backbone interact. energy: -0.082
local terms energy: -50.831234
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -87.877649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.877649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.877649 (E_RNA)
where:
Base-Base interactions energy: -35.599
where: short stacking energy: -35.599
Base-Backbone interact. energy: -0.146
local terms energy: -52.132521
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -8.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -70.102644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.102644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.102644 (E_RNA)
where:
Base-Base interactions energy: -22.978
where: short stacking energy: -22.978
Base-Backbone interact. energy: 0.174
local terms energy: -47.298575
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -6.852
flat angles P-C4'-P energy: -9.512
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: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -208.876566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.876566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.876566 (E_RNA)
where:
Base-Base interactions energy: -138.764
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.032
local terms energy: -70.080356
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -18.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -191.354130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.354130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.354130 (E_RNA)
where:
Base-Base interactions energy: -126.384
where: short stacking energy: -58.624
Base-Backbone interact. energy: -0.083
local terms energy: -64.887134
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -4.484
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -193.713871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.713871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.713871 (E_RNA)
where:
Base-Base interactions energy: -123.913
where: short stacking energy: -60.338
Base-Backbone interact. energy: -0.092
local terms energy: -69.709542
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -172.457066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.457066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.457066 (E_RNA)
where:
Base-Base interactions energy: -111.008
where: short stacking energy: -53.117
Base-Backbone interact. energy: -0.351
local terms energy: -61.098810
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -11.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -153.561587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.561587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.561587 (E_RNA)
where:
Base-Base interactions energy: -90.315
where: short stacking energy: -46.178
Base-Backbone interact. energy: 1.773
local terms energy: -65.019095
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -13.262
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: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -95.009949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.009949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.009949 (E_RNA)
where:
Base-Base interactions energy: -36.634
where: short stacking energy: -25.972
Base-Backbone interact. energy: -0.056
local terms energy: -58.319720
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -7.861
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -11.587
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: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -108.384734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.384734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.384734 (E_RNA)
where:
Base-Base interactions energy: -52.965
where: short stacking energy: -30.045
Base-Backbone interact. energy: -0.069
local terms energy: -55.350413
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -7.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -100.726226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.726226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.726226 (E_RNA)
where:
Base-Base interactions energy: -53.900
where: short stacking energy: -35.877
Base-Backbone interact. energy: -0.243
local terms energy: -46.582922
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -80.139065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.139065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.139065 (E_RNA)
where:
Base-Base interactions energy: -32.167
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.003
local terms energy: -47.968697
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -0.948
tors. eta vs tors. theta energy: -9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -77.711914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.711914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.711914 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -35.128
Base-Backbone interact. energy: 1.799
local terms energy: -44.383128
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -8.452
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -2.650
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -207.184922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.184922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.184922 (E_RNA)
where:
Base-Base interactions energy: -139.088
where: short stacking energy: -65.365
Base-Backbone interact. energy: -0.005
local terms energy: -68.091981
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -202.476461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.476461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.476461 (E_RNA)
where:
Base-Base interactions energy: -137.822
where: short stacking energy: -62.986
Base-Backbone interact. energy: -0.157
local terms energy: -64.496830
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -181.602069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.602069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.602069 (E_RNA)
where:
Base-Base interactions energy: -113.213
where: short stacking energy: -46.835
Base-Backbone interact. energy: -0.007
local terms energy: -68.381947
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -176.839532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.839532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.839532 (E_RNA)
where:
Base-Base interactions energy: -110.338
where: short stacking energy: -43.999
Base-Backbone interact. energy: -0.116
local terms energy: -66.385991
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -12.781
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: 401
Temperature: 1.100000
Total energy: -156.341297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.341297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.341297 (E_RNA)
where:
Base-Base interactions energy: -95.107
where: short stacking energy: -52.735
Base-Backbone interact. energy: -0.217
local terms energy: -61.017188
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -10.159
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -13.910
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: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -93.465771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.465771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.465771 (E_RNA)
where:
Base-Base interactions energy: -40.188
where: short stacking energy: -31.331
Base-Backbone interact. energy: -0.149
local terms energy: -53.129243
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -101.016607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.016607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.016607 (E_RNA)
where:
Base-Base interactions energy: -45.940
where: short stacking energy: -23.326
Base-Backbone interact. energy: -0.472
local terms energy: -54.604235
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -88.482314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.482314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.482314 (E_RNA)
where:
Base-Base interactions energy: -31.503
where: short stacking energy: -25.669
Base-Backbone interact. energy: -1.064
local terms energy: -55.914990
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -74.551693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.551693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.551693 (E_RNA)
where:
Base-Base interactions energy: -27.356
where: short stacking energy: -24.254
Base-Backbone interact. energy: -0.083
local terms energy: -47.112473
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -4.910
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: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -71.027392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.027392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.027392 (E_RNA)
where:
Base-Base interactions energy: -23.486
where: short stacking energy: -18.105
Base-Backbone interact. energy: -0.307
local terms energy: -47.233929
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -0.358
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: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -212.901811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.901811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.901811 (E_RNA)
where:
Base-Base interactions energy: -140.542
where: short stacking energy: -59.306
Base-Backbone interact. energy: -0.469
local terms energy: -71.891345
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -197.565762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.565762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.565762 (E_RNA)
where:
Base-Base interactions energy: -131.677
where: short stacking energy: -57.454
Base-Backbone interact. energy: -0.176
local terms energy: -65.712715
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -12.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -162.171556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.171556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.171556 (E_RNA)
where:
Base-Base interactions energy: -103.103
where: short stacking energy: -37.822
Base-Backbone interact. energy: -1.456
local terms energy: -57.612450
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -166.086713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.086713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.086713 (E_RNA)
where:
Base-Base interactions energy: -108.638
where: short stacking energy: -53.681
Base-Backbone interact. energy: 0.140
local terms energy: -57.589011
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -13.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -125.649500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.649500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.649500 (E_RNA)
where:
Base-Base interactions energy: -68.204
where: short stacking energy: -28.925
Base-Backbone interact. energy: -0.139
local terms energy: -57.306559
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -9.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -89.249073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.249073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.249073 (E_RNA)
where:
Base-Base interactions energy: -41.312
where: short stacking energy: -38.164
Base-Backbone interact. energy: -0.034
local terms energy: -47.903661
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -7.819
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: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -86.163086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.163086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.163086 (E_RNA)
where:
Base-Base interactions energy: -41.397
where: short stacking energy: -29.567
Base-Backbone interact. energy: -0.149
local terms energy: -44.617444
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -74.260597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.260597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.260597 (E_RNA)
where:
Base-Base interactions energy: -28.860
where: short stacking energy: -27.253
Base-Backbone interact. energy: -0.131
local terms energy: -45.269819
where:
bonds (distance) C4'-P energy: -5.628
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -93.383736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.383736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.383736 (E_RNA)
where:
Base-Base interactions energy: -50.305
where: short stacking energy: -34.050
Base-Backbone interact. energy: -0.194
local terms energy: -42.885152
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -2.500
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: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -78.035721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.035721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.035721 (E_RNA)
where:
Base-Base interactions energy: -36.432
where: short stacking energy: -17.617
Base-Backbone interact. energy: -0.603
local terms energy: -41.000244
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: 1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -205.391290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.391290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.391290 (E_RNA)
where:
Base-Base interactions energy: -130.637
where: short stacking energy: -63.121
Base-Backbone interact. energy: -0.006
local terms energy: -74.748169
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -179.117624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.117624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.117624 (E_RNA)
where:
Base-Base interactions energy: -116.404
where: short stacking energy: -50.711
Base-Backbone interact. energy: -0.045
local terms energy: -62.668836
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -193.265242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.265242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.265242 (E_RNA)
where:
Base-Base interactions energy: -125.464
where: short stacking energy: -58.133
Base-Backbone interact. energy: -0.000
local terms energy: -67.800702
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -162.097635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.097635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.097635 (E_RNA)
where:
Base-Base interactions energy: -106.988
where: short stacking energy: -47.900
Base-Backbone interact. energy: 0.504
local terms energy: -55.613531
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -6.359
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: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -168.377171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.377171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.377171 (E_RNA)
where:
Base-Base interactions energy: -105.808
where: short stacking energy: -42.848
Base-Backbone interact. energy: -0.002
local terms energy: -62.566982
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -100.251223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.251223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.251223 (E_RNA)
where:
Base-Base interactions energy: -46.977
where: short stacking energy: -34.673
Base-Backbone interact. energy: -0.422
local terms energy: -52.852084
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -9.710
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -6.745
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: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -85.425046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.425046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.425046 (E_RNA)
where:
Base-Base interactions energy: -36.498
where: short stacking energy: -36.498
Base-Backbone interact. energy: -0.144
local terms energy: -48.783483
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -80.107714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.107714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.107714 (E_RNA)
where:
Base-Base interactions energy: -28.257
where: short stacking energy: -28.257
Base-Backbone interact. energy: -0.035
local terms energy: -51.816177
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -11.544
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: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -85.317098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.317098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.317098 (E_RNA)
where:
Base-Base interactions energy: -33.589
where: short stacking energy: -23.594
Base-Backbone interact. energy: -0.336
local terms energy: -51.391487
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -68.277642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.277642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.277642 (E_RNA)
where:
Base-Base interactions energy: -29.141
where: short stacking energy: -24.894
Base-Backbone interact. energy: -0.328
local terms energy: -38.808773
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -6.099
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: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -197.552250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.552250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.552250 (E_RNA)
where:
Base-Base interactions energy: -130.602
where: short stacking energy: -59.683
Base-Backbone interact. energy: 0.619
local terms energy: -67.569111
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -15.104
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: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -183.418377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.418377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.418377 (E_RNA)
where:
Base-Base interactions energy: -117.541
where: short stacking energy: -47.715
Base-Backbone interact. energy: -0.075
local terms energy: -65.802809
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -197.916188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.916188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.916188 (E_RNA)
where:
Base-Base interactions energy: -123.006
where: short stacking energy: -55.078
Base-Backbone interact. energy: -0.062
local terms energy: -74.847949
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -18.705
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: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -174.124546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.124546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.124546 (E_RNA)
where:
Base-Base interactions energy: -109.632
where: short stacking energy: -51.194
Base-Backbone interact. energy: -0.149
local terms energy: -64.343099
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -14.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -161.817196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.817196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.817196 (E_RNA)
where:
Base-Base interactions energy: -100.328
where: short stacking energy: -45.547
Base-Backbone interact. energy: -0.130
local terms energy: -61.359738
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -9.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -88.680257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.680257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.680257 (E_RNA)
where:
Base-Base interactions energy: -40.749
where: short stacking energy: -17.702
Base-Backbone interact. energy: -0.471
local terms energy: -47.460401
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: 1.379
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: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -90.925781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.925781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.925781 (E_RNA)
where:
Base-Base interactions energy: -41.304
where: short stacking energy: -37.257
Base-Backbone interact. energy: 0.822
local terms energy: -50.443930
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -7.818
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: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -85.375321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.375321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.375321 (E_RNA)
where:
Base-Base interactions energy: -42.437
where: short stacking energy: -26.371
Base-Backbone interact. energy: -0.590
local terms energy: -42.348094
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -5.349
flat angles P-C4'-P energy: -11.694
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: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -78.422786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.422786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.422786 (E_RNA)
where:
Base-Base interactions energy: -23.793
where: short stacking energy: -20.328
Base-Backbone interact. energy: -0.081
local terms energy: -54.548774
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -77.075370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.075370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.075370 (E_RNA)
where:
Base-Base interactions energy: -36.546
where: short stacking energy: -15.669
Base-Backbone interact. energy: -0.252
local terms energy: -40.277373
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -6.573
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -0.783
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: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -205.393107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.393107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.393107 (E_RNA)
where:
Base-Base interactions energy: -129.057
where: short stacking energy: -57.737
Base-Backbone interact. energy: -0.002
local terms energy: -76.333295
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -191.444996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.444996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.444996 (E_RNA)
where:
Base-Base interactions energy: -116.902
where: short stacking energy: -54.505
Base-Backbone interact. energy: -0.090
local terms energy: -74.453497
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -177.884493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.884493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.884493 (E_RNA)
where:
Base-Base interactions energy: -118.448
where: short stacking energy: -49.487
Base-Backbone interact. energy: -0.044
local terms energy: -59.392334
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -3.362
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: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -169.757152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.757152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.757152 (E_RNA)
where:
Base-Base interactions energy: -108.181
where: short stacking energy: -45.825
Base-Backbone interact. energy: -0.026
local terms energy: -61.550363
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -164.350837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.350837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.350837 (E_RNA)
where:
Base-Base interactions energy: -110.100
where: short stacking energy: -44.531
Base-Backbone interact. energy: -0.033
local terms energy: -54.218440
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -91.258101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.258101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.258101 (E_RNA)
where:
Base-Base interactions energy: -43.133
where: short stacking energy: -31.278
Base-Backbone interact. energy: 2.149
local terms energy: -50.274562
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -90.040449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.040449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.040449 (E_RNA)
where:
Base-Base interactions energy: -38.633
where: short stacking energy: -38.633
Base-Backbone interact. energy: -0.025
local terms energy: -51.382876
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -8.664
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -5.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -87.976430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.976430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.976430 (E_RNA)
where:
Base-Base interactions energy: -32.442
where: short stacking energy: -27.064
Base-Backbone interact. energy: -1.416
local terms energy: -54.119167
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -7.034
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: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -74.910735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.910735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.910735 (E_RNA)
where:
Base-Base interactions energy: -29.140
where: short stacking energy: -23.294
Base-Backbone interact. energy: -0.169
local terms energy: -45.601164
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -74.418149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.418149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.418149 (E_RNA)
where:
Base-Base interactions energy: -32.226
where: short stacking energy: -23.906
Base-Backbone interact. energy: -0.039
local terms energy: -42.152781
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: 3.236
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: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -213.571532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.571532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.571532 (E_RNA)
where:
Base-Base interactions energy: -133.269
where: short stacking energy: -60.907
Base-Backbone interact. energy: -0.680
local terms energy: -79.622334
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -193.454838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.454838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.454838 (E_RNA)
where:
Base-Base interactions energy: -125.479
where: short stacking energy: -60.320
Base-Backbone interact. energy: 0.679
local terms energy: -68.654732
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -15.795
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: 3, replica: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -172.934693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.934693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.934693 (E_RNA)
where:
Base-Base interactions energy: -111.393
where: short stacking energy: -54.147
Base-Backbone interact. energy: -0.006
local terms energy: -61.535148
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -12.322
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: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -164.524090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.524090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.524090 (E_RNA)
where:
Base-Base interactions energy: -101.276
where: short stacking energy: -42.905
Base-Backbone interact. energy: 0.789
local terms energy: -64.036398
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -13.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -166.558796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.558796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.558796 (E_RNA)
where:
Base-Base interactions energy: -102.328
where: short stacking energy: -37.315
Base-Backbone interact. energy: -0.801
local terms energy: -63.430424
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -11.203
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: 2
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -96.685698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.685698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.685698 (E_RNA)
where:
Base-Base interactions energy: -35.529
where: short stacking energy: -35.529
Base-Backbone interact. energy: 0.118
local terms energy: -61.274479
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -78.300844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.300844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.300844 (E_RNA)
where:
Base-Base interactions energy: -30.345
where: short stacking energy: -29.264
Base-Backbone interact. energy: -0.062
local terms energy: -47.893214
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -5.673
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -9.134
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: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -86.698080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.698080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.698080 (E_RNA)
where:
Base-Base interactions energy: -36.604
where: short stacking energy: -25.356
Base-Backbone interact. energy: -0.138
local terms energy: -49.956079
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -9.676
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: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -76.663077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.663077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.663077 (E_RNA)
where:
Base-Base interactions energy: -27.283
where: short stacking energy: -25.652
Base-Backbone interact. energy: -0.046
local terms energy: -49.333995
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -1.755
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: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -73.932260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.932260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.932260 (E_RNA)
where:
Base-Base interactions energy: -25.544
where: short stacking energy: -23.709
Base-Backbone interact. energy: 1.473
local terms energy: -49.861255
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -211.299797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.299797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.299797 (E_RNA)
where:
Base-Base interactions energy: -134.503
where: short stacking energy: -59.103
Base-Backbone interact. energy: -0.008
local terms energy: -76.788953
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -192.114470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.114470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.114470 (E_RNA)
where:
Base-Base interactions energy: -130.913
where: short stacking energy: -53.526
Base-Backbone interact. energy: -0.173
local terms energy: -61.028450
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -13.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -180.233298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.233298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.233298 (E_RNA)
where:
Base-Base interactions energy: -110.990
where: short stacking energy: -60.414
Base-Backbone interact. energy: -0.136
local terms energy: -69.107142
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -187.649431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.649431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.649431 (E_RNA)
where:
Base-Base interactions energy: -123.162
where: short stacking energy: -46.640
Base-Backbone interact. energy: 0.018
local terms energy: -64.505827
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -1.562
tors. eta vs tors. theta energy: -16.777
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: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -162.450726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.450726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.450726 (E_RNA)
where:
Base-Base interactions energy: -105.800
where: short stacking energy: -45.739
Base-Backbone interact. energy: -0.018
local terms energy: -56.632598
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -10.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -94.501975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.501975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.501975 (E_RNA)
where:
Base-Base interactions energy: -45.007
where: short stacking energy: -29.535
Base-Backbone interact. energy: -0.058
local terms energy: -49.436644
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -92.677791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.677791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.677791 (E_RNA)
where:
Base-Base interactions energy: -46.246
where: short stacking energy: -36.078
Base-Backbone interact. energy: -0.081
local terms energy: -46.350935
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -7.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -82.341661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.341661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.341661 (E_RNA)
where:
Base-Base interactions energy: -31.581
where: short stacking energy: -25.090
Base-Backbone interact. energy: -0.896
local terms energy: -49.864380
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -74.227216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.227216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.227216 (E_RNA)
where:
Base-Base interactions energy: -28.362
where: short stacking energy: -27.548
Base-Backbone interact. energy: -0.580
local terms energy: -45.284396
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -3.034
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -78.388344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.388344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.388344 (E_RNA)
where:
Base-Base interactions energy: -29.750
where: short stacking energy: -23.623
Base-Backbone interact. energy: -0.044
local terms energy: -48.594320
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -5.354
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: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -208.231211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.231211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.231211 (E_RNA)
where:
Base-Base interactions energy: -136.600
where: short stacking energy: -60.037
Base-Backbone interact. energy: -0.074
local terms energy: -71.557574
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -18.042
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: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -198.085931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.085931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.085931 (E_RNA)
where:
Base-Base interactions energy: -133.823
where: short stacking energy: -59.705
Base-Backbone interact. energy: 0.324
local terms energy: -64.587441
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -17.807
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: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -192.499403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.499403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.499403 (E_RNA)
where:
Base-Base interactions energy: -124.307
where: short stacking energy: -57.781
Base-Backbone interact. energy: -0.032
local terms energy: -68.159985
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -177.621509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.621509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.621509 (E_RNA)
where:
Base-Base interactions energy: -115.212
where: short stacking energy: -54.156
Base-Backbone interact. energy: -0.186
local terms energy: -62.223614
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -150.456027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.456027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.456027 (E_RNA)
where:
Base-Base interactions energy: -91.011
where: short stacking energy: -41.476
Base-Backbone interact. energy: -0.719
local terms energy: -58.725508
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -10.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -92.283112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.283112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.283112 (E_RNA)
where:
Base-Base interactions energy: -39.972
where: short stacking energy: -21.984
Base-Backbone interact. energy: -0.576
local terms energy: -51.734485
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -9.997
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: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -106.037619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.037619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.037619 (E_RNA)
where:
Base-Base interactions energy: -54.098
where: short stacking energy: -31.443
Base-Backbone interact. energy: -0.520
local terms energy: -51.419650
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -8.658
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: 8, replica: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -83.024867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.024867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.024867 (E_RNA)
where:
Base-Base interactions energy: -33.772
where: short stacking energy: -23.078
Base-Backbone interact. energy: -0.089
local terms energy: -49.164387
where:
bonds (distance) C4'-P energy: -6.944
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -82.114972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.114972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.114972 (E_RNA)
where:
Base-Base interactions energy: -29.734
where: short stacking energy: -26.112
Base-Backbone interact. energy: -0.286
local terms energy: -52.095650
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -8.155
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: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -75.476001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.476001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.476001 (E_RNA)
where:
Base-Base interactions energy: -25.915
where: short stacking energy: -25.915
Base-Backbone interact. energy: -0.025
local terms energy: -49.535961
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -3.789
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: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -204.759803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.759803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.759803 (E_RNA)
where:
Base-Base interactions energy: -138.393
where: short stacking energy: -56.517
Base-Backbone interact. energy: -0.007
local terms energy: -66.359619
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -8.013
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -196.325907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.325907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.325907 (E_RNA)
where:
Base-Base interactions energy: -121.403
where: short stacking energy: -61.491
Base-Backbone interact. energy: -0.325
local terms energy: -74.598043
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -194.112707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.112707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.112707 (E_RNA)
where:
Base-Base interactions energy: -123.481
where: short stacking energy: -59.303
Base-Backbone interact. energy: -0.001
local terms energy: -70.630612
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -162.991536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.991536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.991536 (E_RNA)
where:
Base-Base interactions energy: -104.313
where: short stacking energy: -46.628
Base-Backbone interact. energy: 0.564
local terms energy: -59.242837
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -172.471190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.471190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.471190 (E_RNA)
where:
Base-Base interactions energy: -114.624
where: short stacking energy: -53.901
Base-Backbone interact. energy: -0.001
local terms energy: -57.846554
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -9.930
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -142.700631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.700631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.700631 (E_RNA)
where:
Base-Base interactions energy: -91.466
where: short stacking energy: -40.593
Base-Backbone interact. energy: 0.269
local terms energy: -51.504008
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -6.434
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: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -86.289674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.289674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.289674 (E_RNA)
where:
Base-Base interactions energy: -40.136
where: short stacking energy: -27.510
Base-Backbone interact. energy: -0.142
local terms energy: -46.011736
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -5.029
flat angles P-C4'-P energy: -9.514
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: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -82.186749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.186749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.186749 (E_RNA)
where:
Base-Base interactions energy: -39.998
where: short stacking energy: -28.789
Base-Backbone interact. energy: -0.408
local terms energy: -41.781373
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -2.157
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: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -77.257669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.257669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.257669 (E_RNA)
where:
Base-Base interactions energy: -25.871
where: short stacking energy: -20.579
Base-Backbone interact. energy: -0.020
local terms energy: -51.366005
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -10.086
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: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -71.416821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.416821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.416821 (E_RNA)
where:
Base-Base interactions energy: -19.694
where: short stacking energy: -19.694
Base-Backbone interact. energy: -0.157
local terms energy: -51.565100
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -10.638
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: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -202.213655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.213655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.213655 (E_RNA)
where:
Base-Base interactions energy: -135.229
where: short stacking energy: -67.400
Base-Backbone interact. energy: -0.066
local terms energy: -66.918575
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -207.915024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.915024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.915024 (E_RNA)
where:
Base-Base interactions energy: -131.711
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.327
local terms energy: -75.877344
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -18.959
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: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -192.417729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.417729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.417729 (E_RNA)
where:
Base-Base interactions energy: -120.477
where: short stacking energy: -55.238
Base-Backbone interact. energy: -0.012
local terms energy: -71.928394
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -18.452
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: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -168.800741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.800741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.800741 (E_RNA)
where:
Base-Base interactions energy: -103.633
where: short stacking energy: -47.607
Base-Backbone interact. energy: -0.045
local terms energy: -65.122741
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -14.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -177.823591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.823591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.823591 (E_RNA)
where:
Base-Base interactions energy: -118.664
where: short stacking energy: -55.768
Base-Backbone interact. energy: -0.001
local terms energy: -59.159266
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -4.645
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -160.976893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.976893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.976893 (E_RNA)
where:
Base-Base interactions energy: -107.225
where: short stacking energy: -53.870
Base-Backbone interact. energy: -0.091
local terms energy: -53.660848
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -2.130
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -87.175220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.175220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.175220 (E_RNA)
where:
Base-Base interactions energy: -37.416
where: short stacking energy: -23.735
Base-Backbone interact. energy: -0.143
local terms energy: -49.616025
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -2.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -81.771715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.771715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.771715 (E_RNA)
where:
Base-Base interactions energy: -31.286
where: short stacking energy: -29.539
Base-Backbone interact. energy: -0.148
local terms energy: -50.337821
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: 0.728
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: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -66.534841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.534841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.534841 (E_RNA)
where:
Base-Base interactions energy: -17.754
where: short stacking energy: -17.556
Base-Backbone interact. energy: -1.151
local terms energy: -47.630045
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -76.655568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.655568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.655568 (E_RNA)
where:
Base-Base interactions energy: -23.652
where: short stacking energy: -20.201
Base-Backbone interact. energy: -0.213
local terms energy: -52.790219
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -210.166829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.166829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.166829 (E_RNA)
where:
Base-Base interactions energy: -133.900
where: short stacking energy: -63.041
Base-Backbone interact. energy: 0.186
local terms energy: -76.452605
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -17.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -200.585801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.585801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.585801 (E_RNA)
where:
Base-Base interactions energy: -125.020
where: short stacking energy: -62.535
Base-Backbone interact. energy: -0.809
local terms energy: -74.756394
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -188.684468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.684468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.684468 (E_RNA)
where:
Base-Base interactions energy: -117.827
where: short stacking energy: -55.802
Base-Backbone interact. energy: 0.598
local terms energy: -71.455246
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -16.284
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: 411
Temperature: 1.050000
Total energy: -192.777437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.777437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.777437 (E_RNA)
where:
Base-Base interactions energy: -124.919
where: short stacking energy: -56.107
Base-Backbone interact. energy: -0.701
local terms energy: -67.157356
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -173.781545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.781545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.781545 (E_RNA)
where:
Base-Base interactions energy: -107.167
where: short stacking energy: -44.459
Base-Backbone interact. energy: -1.363
local terms energy: -65.251573
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -15.245
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: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -161.518869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.518869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.518869 (E_RNA)
where:
Base-Base interactions energy: -104.790
where: short stacking energy: -51.550
Base-Backbone interact. energy: -0.304
local terms energy: -56.425119
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -10.223
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: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -102.310545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.310545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.310545 (E_RNA)
where:
Base-Base interactions energy: -50.623
where: short stacking energy: -30.241
Base-Backbone interact. energy: -0.029
local terms energy: -51.658860
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -4.162
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: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -86.931940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.931940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.931940 (E_RNA)
where:
Base-Base interactions energy: -41.850
where: short stacking energy: -32.226
Base-Backbone interact. energy: -0.108
local terms energy: -44.973797
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -1.854
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -70.646330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.646330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.646330 (E_RNA)
where:
Base-Base interactions energy: -22.236
where: short stacking energy: -10.556
Base-Backbone interact. energy: -0.057
local terms energy: -48.354059
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -8.693
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: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -85.508106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.508106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.508106 (E_RNA)
where:
Base-Base interactions energy: -35.760
where: short stacking energy: -35.760
Base-Backbone interact. energy: 0.123
local terms energy: -49.870894
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -4.668
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: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -205.240588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.240588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.240588 (E_RNA)
where:
Base-Base interactions energy: -128.628
where: short stacking energy: -55.151
Base-Backbone interact. energy: -0.000
local terms energy: -76.611839
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -202.562977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.562977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.562977 (E_RNA)
where:
Base-Base interactions energy: -131.099
where: short stacking energy: -60.801
Base-Backbone interact. energy: -0.003
local terms energy: -71.461020
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -191.235132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.235132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.235132 (E_RNA)
where:
Base-Base interactions energy: -119.179
where: short stacking energy: -61.401
Base-Backbone interact. energy: -0.408
local terms energy: -71.647843
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -185.071408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.071408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.071408 (E_RNA)
where:
Base-Base interactions energy: -123.550
where: short stacking energy: -59.072
Base-Backbone interact. energy: -0.186
local terms energy: -61.335896
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -165.039684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.039684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.039684 (E_RNA)
where:
Base-Base interactions energy: -102.010
where: short stacking energy: -44.815
Base-Backbone interact. energy: -0.016
local terms energy: -63.014177
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -12.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -147.690171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.690171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.690171 (E_RNA)
where:
Base-Base interactions energy: -91.748
where: short stacking energy: -36.246
Base-Backbone interact. energy: 0.041
local terms energy: -55.982690
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -11.086
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: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -100.110156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.110156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.110156 (E_RNA)
where:
Base-Base interactions energy: -50.545
where: short stacking energy: -38.043
Base-Backbone interact. energy: -0.926
local terms energy: -48.638947
where:
bonds (distance) C4'-P energy: -8.871
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -4.037
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: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -83.372218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.372218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.372218 (E_RNA)
where:
Base-Base interactions energy: -54.367
where: short stacking energy: -27.510
Base-Backbone interact. energy: 0.390
local terms energy: -29.395087
where:
bonds (distance) C4'-P energy: -4.035
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -7.748
flat angles P-C4'-P energy: -6.647
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: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -70.200990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.200990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.200990 (E_RNA)
where:
Base-Base interactions energy: -30.647
where: short stacking energy: -21.115
Base-Backbone interact. energy: -0.412
local terms energy: -39.141211
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -7.068
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: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -76.363601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.363601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.363601 (E_RNA)
where:
Base-Base interactions energy: -33.091
where: short stacking energy: -29.746
Base-Backbone interact. energy: 0.100
local terms energy: -43.373118
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -7.863
flat angles P-C4'-P energy: -8.669
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: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -213.556975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.556975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.556975 (E_RNA)
where:
Base-Base interactions energy: -140.076
where: short stacking energy: -61.664
Base-Backbone interact. energy: -0.002
local terms energy: -73.479849
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -194.617182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.617182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.617182 (E_RNA)
where:
Base-Base interactions energy: -129.908
where: short stacking energy: -66.256
Base-Backbone interact. energy: -0.158
local terms energy: -64.551374
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -191.215256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.215256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.215256 (E_RNA)
where:
Base-Base interactions energy: -123.123
where: short stacking energy: -62.725
Base-Backbone interact. energy: -0.626
local terms energy: -67.466212
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -170.721642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.721642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.721642 (E_RNA)
where:
Base-Base interactions energy: -98.762
where: short stacking energy: -42.781
Base-Backbone interact. energy: -0.304
local terms energy: -71.655930
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -191.736015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.736015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.736015 (E_RNA)
where:
Base-Base interactions energy: -123.632
where: short stacking energy: -55.463
Base-Backbone interact. energy: -0.003
local terms energy: -68.101276
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -143.115838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.115838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.115838 (E_RNA)
where:
Base-Base interactions energy: -80.331
where: short stacking energy: -37.215
Base-Backbone interact. energy: -0.071
local terms energy: -62.714076
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -10.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -104.003840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.003840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.003840 (E_RNA)
where:
Base-Base interactions energy: -59.925
where: short stacking energy: -26.600
Base-Backbone interact. energy: -0.360
local terms energy: -43.718933
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -3.842
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: 2
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -104.494188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.494188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.494188 (E_RNA)
where:
Base-Base interactions energy: -62.676
where: short stacking energy: -33.857
Base-Backbone interact. energy: -0.079
local terms energy: -41.739135
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -6.375
flat angles P-C4'-P energy: -5.355
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: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -76.589098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.589098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.589098 (E_RNA)
where:
Base-Base interactions energy: -33.694
where: short stacking energy: -18.055
Base-Backbone interact. energy: 3.255
local terms energy: -46.150770
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -65.840746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.840746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.840746 (E_RNA)
where:
Base-Base interactions energy: -19.576
where: short stacking energy: -13.796
Base-Backbone interact. energy: -0.039
local terms energy: -46.225969
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -196.618254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.618254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.618254 (E_RNA)
where:
Base-Base interactions energy: -122.704
where: short stacking energy: -61.107
Base-Backbone interact. energy: -0.135
local terms energy: -73.778908
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -206.637575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.637575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.637575 (E_RNA)
where:
Base-Base interactions energy: -138.815
where: short stacking energy: -63.943
Base-Backbone interact. energy: -0.105
local terms energy: -67.717157
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -20.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -200.568399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.568399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.568399 (E_RNA)
where:
Base-Base interactions energy: -131.842
where: short stacking energy: -62.847
Base-Backbone interact. energy: -0.004
local terms energy: -68.722286
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -164.324143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.324143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.324143 (E_RNA)
where:
Base-Base interactions energy: -104.242
where: short stacking energy: -52.400
Base-Backbone interact. energy: -0.002
local terms energy: -60.080208
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -4.346
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -187.471920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.471920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.471920 (E_RNA)
where:
Base-Base interactions energy: -125.757
where: short stacking energy: -53.321
Base-Backbone interact. energy: 0.851
local terms energy: -62.565970
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -14.167
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: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -141.520719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.520719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.520719 (E_RNA)
where:
Base-Base interactions energy: -75.819
where: short stacking energy: -40.157
Base-Backbone interact. energy: -0.493
local terms energy: -65.209058
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -11.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -109.237320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.237320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.237320 (E_RNA)
where:
Base-Base interactions energy: -63.919
where: short stacking energy: -28.401
Base-Backbone interact. energy: -0.017
local terms energy: -45.300919
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -86.697401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.697401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.697401 (E_RNA)
where:
Base-Base interactions energy: -34.151
where: short stacking energy: -34.151
Base-Backbone interact. energy: 0.986
local terms energy: -53.532176
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -77.352543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.352543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.352543 (E_RNA)
where:
Base-Base interactions energy: -27.002
where: short stacking energy: -21.771
Base-Backbone interact. energy: -0.131
local terms energy: -50.219693
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -9.532
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: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -73.494933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.494933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.494933 (E_RNA)
where:
Base-Base interactions energy: -26.344
where: short stacking energy: -26.344
Base-Backbone interact. energy: -0.158
local terms energy: -46.992593
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: -8.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -200.131897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.131897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.131897 (E_RNA)
where:
Base-Base interactions energy: -132.095
where: short stacking energy: -56.160
Base-Backbone interact. energy: -0.102
local terms energy: -67.935101
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -195.334751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.334751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.334751 (E_RNA)
where:
Base-Base interactions energy: -131.304
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.522
local terms energy: -63.508548
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -199.274769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.274769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.274769 (E_RNA)
where:
Base-Base interactions energy: -128.367
where: short stacking energy: -54.725
Base-Backbone interact. energy: -0.331
local terms energy: -70.577252
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -172.020167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.020167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.020167 (E_RNA)
where:
Base-Base interactions energy: -100.581
where: short stacking energy: -49.467
Base-Backbone interact. energy: -0.062
local terms energy: -71.376575
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -14.116
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: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -160.720687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.720687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.720687 (E_RNA)
where:
Base-Base interactions energy: -104.918
where: short stacking energy: -45.276
Base-Backbone interact. energy: -0.283
local terms energy: -55.519370
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -3.236
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: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -104.645974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.645974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.645974 (E_RNA)
where:
Base-Base interactions energy: -52.352
where: short stacking energy: -35.615
Base-Backbone interact. energy: 0.126
local terms energy: -52.420531
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -147.008595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.008595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.008595 (E_RNA)
where:
Base-Base interactions energy: -95.109
where: short stacking energy: -41.737
Base-Backbone interact. energy: -0.073
local terms energy: -51.826392
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -2.524
tors. eta vs tors. theta energy: -7.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -82.382457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.382457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.382457 (E_RNA)
where:
Base-Base interactions energy: -34.032
where: short stacking energy: -24.998
Base-Backbone interact. energy: -0.294
local terms energy: -48.056764
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -7.326
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: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -73.663089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.663089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.663089 (E_RNA)
where:
Base-Base interactions energy: -22.138
where: short stacking energy: -11.486
Base-Backbone interact. energy: -0.245
local terms energy: -51.280380
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -7.333
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: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -70.764026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.764026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.764026 (E_RNA)
where:
Base-Base interactions energy: -19.630
where: short stacking energy: -19.630
Base-Backbone interact. energy: -0.189
local terms energy: -50.944814
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -5.640
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: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -199.090767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.090767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.090767 (E_RNA)
where:
Base-Base interactions energy: -128.449
where: short stacking energy: -56.611
Base-Backbone interact. energy: -0.239
local terms energy: -70.402533
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -15.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -200.507840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.507840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.507840 (E_RNA)
where:
Base-Base interactions energy: -132.535
where: short stacking energy: -59.731
Base-Backbone interact. energy: -0.001
local terms energy: -67.971645
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -18.581
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: 416
Temperature: 1.000000
Total energy: -201.205115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.205115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.205115 (E_RNA)
where:
Base-Base interactions energy: -139.062
where: short stacking energy: -56.828
Base-Backbone interact. energy: -0.003
local terms energy: -62.139615
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -5.227
tors. eta vs tors. theta energy: -17.953
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: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -148.786722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.786722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.786722 (E_RNA)
where:
Base-Base interactions energy: -88.402
where: short stacking energy: -41.414
Base-Backbone interact. energy: 0.404
local terms energy: -60.788524
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -12.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -152.345393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.345393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.345393 (E_RNA)
where:
Base-Base interactions energy: -90.128
where: short stacking energy: -41.951
Base-Backbone interact. energy: -0.032
local terms energy: -62.184912
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -6.823
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -137.381611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.381611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.381611 (E_RNA)
where:
Base-Base interactions energy: -76.329
where: short stacking energy: -38.587
Base-Backbone interact. energy: -0.422
local terms energy: -60.630268
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -11.400
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: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -144.018371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.018371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.018371 (E_RNA)
where:
Base-Base interactions energy: -93.831
where: short stacking energy: -36.674
Base-Backbone interact. energy: -0.411
local terms energy: -49.776372
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -8.462
flat angles P-C4'-P energy: -5.614
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: 8, replica: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -90.112536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.112536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.112536 (E_RNA)
where:
Base-Base interactions energy: -45.943
where: short stacking energy: -17.669
Base-Backbone interact. energy: 1.455
local terms energy: -45.624978
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -8.185
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: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -77.606813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.606813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.606813 (E_RNA)
where:
Base-Base interactions energy: -33.673
where: short stacking energy: -23.987
Base-Backbone interact. energy: -0.802
local terms energy: -43.132298
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -9.585
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: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -71.188962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.188962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.188962 (E_RNA)
where:
Base-Base interactions energy: -28.561
where: short stacking energy: -28.561
Base-Backbone interact. energy: -0.033
local terms energy: -42.595362
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: 0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -201.093749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.093749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.093749 (E_RNA)
where:
Base-Base interactions energy: -130.049
where: short stacking energy: -56.722
Base-Backbone interact. energy: -0.297
local terms energy: -70.748097
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -192.662617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.662617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.662617 (E_RNA)
where:
Base-Base interactions energy: -117.061
where: short stacking energy: -54.439
Base-Backbone interact. energy: -0.111
local terms energy: -75.490383
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -202.349775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.349775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.349775 (E_RNA)
where:
Base-Base interactions energy: -124.961
where: short stacking energy: -53.228
Base-Backbone interact. energy: -0.002
local terms energy: -77.386456
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -17.394
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: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -173.269540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.269540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.269540 (E_RNA)
where:
Base-Base interactions energy: -108.088
where: short stacking energy: -44.803
Base-Backbone interact. energy: -0.022
local terms energy: -65.159236
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -132.913904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.913904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.913904 (E_RNA)
where:
Base-Base interactions energy: -75.625
where: short stacking energy: -43.963
Base-Backbone interact. energy: -0.193
local terms energy: -57.096273
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -4.708
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: 6, replica: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -162.257887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.257887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.257887 (E_RNA)
where:
Base-Base interactions energy: -100.454
where: short stacking energy: -44.975
Base-Backbone interact. energy: -0.091
local terms energy: -61.712386
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -10.522
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: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -107.954349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.954349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.954349 (E_RNA)
where:
Base-Base interactions energy: -69.539
where: short stacking energy: -36.318
Base-Backbone interact. energy: -0.107
local terms energy: -38.308790
where:
bonds (distance) C4'-P energy: -8.258
bonds (distance) P-C4' energy: -8.845
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -79.067545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.067545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.067545 (E_RNA)
where:
Base-Base interactions energy: -28.730
where: short stacking energy: -22.762
Base-Backbone interact. energy: -0.508
local terms energy: -49.829256
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: 2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -95.742560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.742560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.742560 (E_RNA)
where:
Base-Base interactions energy: -36.923
where: short stacking energy: -36.332
Base-Backbone interact. energy: -0.089
local terms energy: -58.730394
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -8.784
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: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -68.350186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.350186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.350186 (E_RNA)
where:
Base-Base interactions energy: -30.444
where: short stacking energy: -23.768
Base-Backbone interact. energy: -0.232
local terms energy: -37.673868
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -2.785
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: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -209.676112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.676112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.676112 (E_RNA)
where:
Base-Base interactions energy: -138.989
where: short stacking energy: -63.458
Base-Backbone interact. energy: -0.038
local terms energy: -70.648735
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -200.092340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.092340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.092340 (E_RNA)
where:
Base-Base interactions energy: -129.185
where: short stacking energy: -53.557
Base-Backbone interact. energy: 1.575
local terms energy: -72.482272
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -17.270
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: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -205.602821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.602821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.602821 (E_RNA)
where:
Base-Base interactions energy: -138.104
where: short stacking energy: -65.584
Base-Backbone interact. energy: -0.299
local terms energy: -67.200104
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -19.564
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: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -182.473265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.473265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.473265 (E_RNA)
where:
Base-Base interactions energy: -119.984
where: short stacking energy: -55.969
Base-Backbone interact. energy: -0.063
local terms energy: -62.426315
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -151.632436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.632436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.632436 (E_RNA)
where:
Base-Base interactions energy: -93.167
where: short stacking energy: -43.826
Base-Backbone interact. energy: -0.086
local terms energy: -58.379992
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -104.719584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.719584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.719584 (E_RNA)
where:
Base-Base interactions energy: -56.985
where: short stacking energy: -35.759
Base-Backbone interact. energy: -0.205
local terms energy: -47.529187
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -8.634
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: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -107.839767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.839767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.839767 (E_RNA)
where:
Base-Base interactions energy: -44.604
where: short stacking energy: -40.114
Base-Backbone interact. energy: -0.141
local terms energy: -63.095167
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -74.619460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.619460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.619460 (E_RNA)
where:
Base-Base interactions energy: -23.766
where: short stacking energy: -23.766
Base-Backbone interact. energy: 0.466
local terms energy: -51.319973
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -79.795593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.795593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.795593 (E_RNA)
where:
Base-Base interactions energy: -37.814
where: short stacking energy: -32.149
Base-Backbone interact. energy: 0.063
local terms energy: -42.045414
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -6.433
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -2.254
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -79.449745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.449745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.449745 (E_RNA)
where:
Base-Base interactions energy: -36.815
where: short stacking energy: -20.710
Base-Backbone interact. energy: -0.244
local terms energy: -42.390764
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -211.490229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.490229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.490229 (E_RNA)
where:
Base-Base interactions energy: -138.632
where: short stacking energy: -62.744
Base-Backbone interact. energy: -0.000
local terms energy: -72.857791
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -18.743
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: 3
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -209.027530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.027530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.027530 (E_RNA)
where:
Base-Base interactions energy: -143.709
where: short stacking energy: -62.461
Base-Backbone interact. energy: -0.594
local terms energy: -64.724775
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -4.346
tors. eta vs tors. theta energy: -20.746
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: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -198.395516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.395516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.395516 (E_RNA)
where:
Base-Base interactions energy: -132.560
where: short stacking energy: -52.422
Base-Backbone interact. energy: -0.508
local terms energy: -65.326972
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -155.999057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.999057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.999057 (E_RNA)
where:
Base-Base interactions energy: -98.249
where: short stacking energy: -32.803
Base-Backbone interact. energy: -0.110
local terms energy: -57.639867
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -170.094763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.094763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.094763 (E_RNA)
where:
Base-Base interactions energy: -108.844
where: short stacking energy: -47.531
Base-Backbone interact. energy: -0.413
local terms energy: -60.837849
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -13.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -87.718485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.718485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.718485 (E_RNA)
where:
Base-Base interactions energy: -32.295
where: short stacking energy: -32.295
Base-Backbone interact. energy: -0.072
local terms energy: -55.351486
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -9.668
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: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -116.026202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.026202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.026202 (E_RNA)
where:
Base-Base interactions energy: -72.271
where: short stacking energy: -25.676
Base-Backbone interact. energy: -0.019
local terms energy: -43.736442
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -6.297
flat angles P-C4'-P energy: -4.404
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: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -84.964234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.964234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.964234 (E_RNA)
where:
Base-Base interactions energy: -29.838
where: short stacking energy: -29.838
Base-Backbone interact. energy: -0.006
local terms energy: -55.120064
where:
bonds (distance) C4'-P energy: -8.908
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -8.174
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: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -70.632660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.632660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.632660 (E_RNA)
where:
Base-Base interactions energy: -23.877
where: short stacking energy: -23.463
Base-Backbone interact. energy: -0.200
local terms energy: -46.556301
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -9.013
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -77.905564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.905564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.905564 (E_RNA)
where:
Base-Base interactions energy: -34.664
where: short stacking energy: -15.882
Base-Backbone interact. energy: -0.017
local terms energy: -43.224759
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -3.112
tors. eta vs tors. theta energy: -1.153
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: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -212.898687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.898687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.898687 (E_RNA)
where:
Base-Base interactions energy: -138.103
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.001
local terms energy: -74.793936
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -205.193494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.193494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.193494 (E_RNA)
where:
Base-Base interactions energy: -131.280
where: short stacking energy: -68.013
Base-Backbone interact. energy: -0.001
local terms energy: -73.912905
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -167.620803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.620803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.620803 (E_RNA)
where:
Base-Base interactions energy: -101.311
where: short stacking energy: -53.474
Base-Backbone interact. energy: -0.002
local terms energy: -66.307924
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -9.046
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: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -197.655397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.655397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.655397 (E_RNA)
where:
Base-Base interactions energy: -130.115
where: short stacking energy: -59.015
Base-Backbone interact. energy: 1.361
local terms energy: -68.901343
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -21.301
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: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -164.077437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.077437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.077437 (E_RNA)
where:
Base-Base interactions energy: -104.232
where: short stacking energy: -38.319
Base-Backbone interact. energy: -0.216
local terms energy: -59.629872
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -10.349
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: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -82.367668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.367668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.367668 (E_RNA)
where:
Base-Base interactions energy: -37.074
where: short stacking energy: -35.163
Base-Backbone interact. energy: -0.277
local terms energy: -45.016651
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -4.168
tors. eta vs tors. theta energy: -5.044
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: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -82.816845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.816845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.816845 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -33.090
Base-Backbone interact. energy: -0.194
local terms energy: -45.548353
where:
bonds (distance) C4'-P energy: -6.678
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -5.167
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: 420
Temperature: 1.250000
Total energy: -117.791836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.791836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.791836 (E_RNA)
where:
Base-Base interactions energy: -64.471
where: short stacking energy: -27.093
Base-Backbone interact. energy: 1.008
local terms energy: -54.329153
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -10.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -86.936609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.936609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.936609 (E_RNA)
where:
Base-Base interactions energy: -38.278
where: short stacking energy: -31.487
Base-Backbone interact. energy: -0.128
local terms energy: -48.531322
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -9.400
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -73.665873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.665873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.665873 (E_RNA)
where:
Base-Base interactions energy: -28.546
where: short stacking energy: -27.955
Base-Backbone interact. energy: 0.959
local terms energy: -46.078573
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -7.749
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: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -201.719752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.719752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.719752 (E_RNA)
where:
Base-Base interactions energy: -133.789
where: short stacking energy: -51.144
Base-Backbone interact. energy: 0.468
local terms energy: -68.398581
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -205.127338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.127338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.127338 (E_RNA)
where:
Base-Base interactions energy: -135.088
where: short stacking energy: -60.296
Base-Backbone interact. energy: -0.001
local terms energy: -70.038100
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -19.852
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: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -180.889016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.889016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.889016 (E_RNA)
where:
Base-Base interactions energy: -111.316
where: short stacking energy: -53.485
Base-Backbone interact. energy: -0.092
local terms energy: -69.480937
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -16.925
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: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -197.259955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.259955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.259955 (E_RNA)
where:
Base-Base interactions energy: -130.132
where: short stacking energy: -63.871
Base-Backbone interact. energy: -0.020
local terms energy: -67.107528
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -18.777
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: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -154.846608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.846608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.846608 (E_RNA)
where:
Base-Base interactions energy: -100.079
where: short stacking energy: -46.285
Base-Backbone interact. energy: -0.102
local terms energy: -54.665169
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -1.697
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -86.249108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.249108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.249108 (E_RNA)
where:
Base-Base interactions energy: -30.954
where: short stacking energy: -30.954
Base-Backbone interact. energy: -0.115
local terms energy: -55.179312
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -11.618
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: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -86.465811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.465811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.465811 (E_RNA)
where:
Base-Base interactions energy: -34.875
where: short stacking energy: -33.805
Base-Backbone interact. energy: -0.112
local terms energy: -51.478912
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -10.727
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -8.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -82.355783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.355783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.355783 (E_RNA)
where:
Base-Base interactions energy: -32.737
where: short stacking energy: -32.102
Base-Backbone interact. energy: -0.175
local terms energy: -49.444324
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -73.225458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.225458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.225458 (E_RNA)
where:
Base-Base interactions energy: -25.843
where: short stacking energy: -24.478
Base-Backbone interact. energy: -0.196
local terms energy: -47.186910
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -2.077
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: 10, replica: 2
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -76.660587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.660587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.660587 (E_RNA)
where:
Base-Base interactions energy: -32.477
where: short stacking energy: -19.683
Base-Backbone interact. energy: -0.232
local terms energy: -43.951211
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -213.092998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.092998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.092998 (E_RNA)
where:
Base-Base interactions energy: -144.578
where: short stacking energy: -65.656
Base-Backbone interact. energy: -0.001
local terms energy: -68.514364
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -216.233899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.233899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.233899 (E_RNA)
where:
Base-Base interactions energy: -138.332
where: short stacking energy: -57.435
Base-Backbone interact. energy: -0.348
local terms energy: -77.554588
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -21.933
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: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -188.455012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.455012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.455012 (E_RNA)
where:
Base-Base interactions energy: -128.376
where: short stacking energy: -56.717
Base-Backbone interact. energy: -0.012
local terms energy: -60.067077
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -8.681
flat angles C4'-P-C4' energy: -8.261
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -173.400420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.400420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.400420 (E_RNA)
where:
Base-Base interactions energy: -104.483
where: short stacking energy: -50.555
Base-Backbone interact. energy: -0.013
local terms energy: -68.904035
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -17.682
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: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -167.247490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.247490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.247490 (E_RNA)
where:
Base-Base interactions energy: -100.160
where: short stacking energy: -38.791
Base-Backbone interact. energy: -0.568
local terms energy: -66.519275
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -8.393
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: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -109.575039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.575039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.575039 (E_RNA)
where:
Base-Base interactions energy: -42.293
where: short stacking energy: -42.293
Base-Backbone interact. energy: -0.025
local terms energy: -67.257249
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -10.303
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: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -95.457718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.457718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.457718 (E_RNA)
where:
Base-Base interactions energy: -53.295
where: short stacking energy: -27.888
Base-Backbone interact. energy: -0.097
local terms energy: -42.065519
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -1.851
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -89.470747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.470747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.470747 (E_RNA)
where:
Base-Base interactions energy: -37.783
where: short stacking energy: -27.693
Base-Backbone interact. energy: -0.178
local terms energy: -51.510596
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -68.084340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.084340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.084340 (E_RNA)
where:
Base-Base interactions energy: -19.693
where: short stacking energy: -19.693
Base-Backbone interact. energy: -0.259
local terms energy: -48.131682
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -73.478266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.478266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.478266 (E_RNA)
where:
Base-Base interactions energy: -30.798
where: short stacking energy: -27.681
Base-Backbone interact. energy: -0.042
local terms energy: -42.637950
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -8.318
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -212.869502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.869502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.869502 (E_RNA)
where:
Base-Base interactions energy: -144.669
where: short stacking energy: -64.034
Base-Backbone interact. energy: -0.010
local terms energy: -68.190485
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -207.573275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.573275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.573275 (E_RNA)
where:
Base-Base interactions energy: -136.827
where: short stacking energy: -65.748
Base-Backbone interact. energy: -0.005
local terms energy: -70.741346
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -202.885597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.885597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.885597 (E_RNA)
where:
Base-Base interactions energy: -134.257
where: short stacking energy: -55.792
Base-Backbone interact. energy: -0.097
local terms energy: -68.532089
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -162.762471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.762471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.762471 (E_RNA)
where:
Base-Base interactions energy: -103.781
where: short stacking energy: -44.016
Base-Backbone interact. energy: -0.641
local terms energy: -58.340488
where:
bonds (distance) C4'-P energy: -8.002
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -157.972677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.972677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.972677 (E_RNA)
where:
Base-Base interactions energy: -92.693
where: short stacking energy: -38.046
Base-Backbone interact. energy: -0.028
local terms energy: -65.252087
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -12.108
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: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -112.418191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.418191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.418191 (E_RNA)
where:
Base-Base interactions energy: -57.129
where: short stacking energy: -34.433
Base-Backbone interact. energy: -0.003
local terms energy: -55.286209
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -9.951
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: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -102.638033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.638033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.638033 (E_RNA)
where:
Base-Base interactions energy: -48.803
where: short stacking energy: -29.081
Base-Backbone interact. energy: -0.404
local terms energy: -53.430637
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -74.382508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.382508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.382508 (E_RNA)
where:
Base-Base interactions energy: -26.414
where: short stacking energy: -26.414
Base-Backbone interact. energy: -0.239
local terms energy: -47.729182
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -5.701
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: 9, replica: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -79.971453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.971453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.971453 (E_RNA)
where:
Base-Base interactions energy: -35.440
where: short stacking energy: -25.526
Base-Backbone interact. energy: -0.382
local terms energy: -44.149335
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: 0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -69.890122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.890122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.890122 (E_RNA)
where:
Base-Base interactions energy: -29.693
where: short stacking energy: -13.505
Base-Backbone interact. energy: -0.374
local terms energy: -39.823098
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: 2.468
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: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -213.846123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.846123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.846123 (E_RNA)
where:
Base-Base interactions energy: -140.215
where: short stacking energy: -64.778
Base-Backbone interact. energy: -0.000
local terms energy: -73.630794
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -18.705
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: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -203.482603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.482603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.482603 (E_RNA)
where:
Base-Base interactions energy: -135.108
where: short stacking energy: -58.025
Base-Backbone interact. energy: -0.001
local terms energy: -68.373719
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -16.768
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: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -199.766060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.766060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.766060 (E_RNA)
where:
Base-Base interactions energy: -123.490
where: short stacking energy: -56.120
Base-Backbone interact. energy: -0.497
local terms energy: -75.779041
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -19.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -159.562134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.562134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.562134 (E_RNA)
where:
Base-Base interactions energy: -100.444
where: short stacking energy: -40.027
Base-Backbone interact. energy: -0.063
local terms energy: -59.054834
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -168.179312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.179312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.179312 (E_RNA)
where:
Base-Base interactions energy: -105.932
where: short stacking energy: -54.249
Base-Backbone interact. energy: -0.097
local terms energy: -62.150449
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -14.505
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: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -97.808897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.808897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.808897 (E_RNA)
where:
Base-Base interactions energy: -43.134
where: short stacking energy: -36.784
Base-Backbone interact. energy: -0.830
local terms energy: -53.844960
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -6.302
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: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -82.716644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.716644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.716644 (E_RNA)
where:
Base-Base interactions energy: -33.740
where: short stacking energy: -25.258
Base-Backbone interact. energy: -0.182
local terms energy: -48.794883
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -8.158
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: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -83.030509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.030509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.030509 (E_RNA)
where:
Base-Base interactions energy: -34.867
where: short stacking energy: -26.713
Base-Backbone interact. energy: -0.920
local terms energy: -47.243160
where:
bonds (distance) C4'-P energy: -7.712
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: 1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -79.729778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.729778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.729778 (E_RNA)
where:
Base-Base interactions energy: -35.400
where: short stacking energy: -26.195
Base-Backbone interact. energy: -1.689
local terms energy: -42.640506
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -8.650
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -70.852035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.852035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.852035 (E_RNA)
where:
Base-Base interactions energy: -28.785
where: short stacking energy: -28.354
Base-Backbone interact. energy: 1.346
local terms energy: -43.412914
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -2.431
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: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -199.785552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.785552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.785552 (E_RNA)
where:
Base-Base interactions energy: -130.819
where: short stacking energy: -61.932
Base-Backbone interact. energy: -0.122
local terms energy: -68.845256
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -17.247
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: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -205.887325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.887325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.887325 (E_RNA)
where:
Base-Base interactions energy: -131.054
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.001
local terms energy: -74.832417
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -186.718017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.718017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.718017 (E_RNA)
where:
Base-Base interactions energy: -120.599
where: short stacking energy: -48.070
Base-Backbone interact. energy: -0.042
local terms energy: -66.077175
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -182.663312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.663312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.663312 (E_RNA)
where:
Base-Base interactions energy: -110.940
where: short stacking energy: -49.233
Base-Backbone interact. energy: -1.001
local terms energy: -70.722576
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -167.948051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.948051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.948051 (E_RNA)
where:
Base-Base interactions energy: -105.060
where: short stacking energy: -47.371
Base-Backbone interact. energy: -0.709
local terms energy: -62.179330
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -93.883878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.883878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.883878 (E_RNA)
where:
Base-Base interactions energy: -47.735
where: short stacking energy: -21.248
Base-Backbone interact. energy: -2.067
local terms energy: -44.082759
where:
bonds (distance) C4'-P energy: -7.896
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -6.775
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: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -113.224356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.224356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.224356 (E_RNA)
where:
Base-Base interactions energy: -53.217
where: short stacking energy: -41.713
Base-Backbone interact. energy: -0.139
local terms energy: -59.868912
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -79.627536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.627536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.627536 (E_RNA)
where:
Base-Base interactions energy: -27.342
where: short stacking energy: -25.650
Base-Backbone interact. energy: -0.164
local terms energy: -52.121365
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -7.072
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: 9, replica: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -71.596474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.596474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.596474 (E_RNA)
where:
Base-Base interactions energy: -21.650
where: short stacking energy: -21.133
Base-Backbone interact. energy: -0.185
local terms energy: -49.761894
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -3.139
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: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -69.656703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.656703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.656703 (E_RNA)
where:
Base-Base interactions energy: -27.537
where: short stacking energy: -27.467
Base-Backbone interact. energy: -0.085
local terms energy: -42.034950
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -212.664512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.664512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.664512 (E_RNA)
where:
Base-Base interactions energy: -145.034
where: short stacking energy: -61.439
Base-Backbone interact. energy: -0.001
local terms energy: -67.628778
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -206.545913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.545913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.545913 (E_RNA)
where:
Base-Base interactions energy: -130.954
where: short stacking energy: -58.340
Base-Backbone interact. energy: -0.002
local terms energy: -75.589904
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -20.415
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: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -192.343363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.343363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.343363 (E_RNA)
where:
Base-Base interactions energy: -120.176
where: short stacking energy: -56.462
Base-Backbone interact. energy: -0.487
local terms energy: -71.680342
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -154.486912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.486912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.486912 (E_RNA)
where:
Base-Base interactions energy: -95.092
where: short stacking energy: -40.179
Base-Backbone interact. energy: -0.095
local terms energy: -59.299555
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -10.730
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: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -160.148398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.148398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.148398 (E_RNA)
where:
Base-Base interactions energy: -92.773
where: short stacking energy: -48.928
Base-Backbone interact. energy: -0.017
local terms energy: -67.358998
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -12.647
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: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -102.937146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.937146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.937146 (E_RNA)
where:
Base-Base interactions energy: -45.761
where: short stacking energy: -33.223
Base-Backbone interact. energy: -0.053
local terms energy: -57.122601
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -7.151
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: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -89.631398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.631398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.631398 (E_RNA)
where:
Base-Base interactions energy: -38.678
where: short stacking energy: -35.286
Base-Backbone interact. energy: -0.226
local terms energy: -50.727739
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -75.992654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.992654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.992654 (E_RNA)
where:
Base-Base interactions energy: -33.996
where: short stacking energy: -20.957
Base-Backbone interact. energy: -0.162
local terms energy: -41.834440
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: 0.882
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: 9, replica: 2
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -72.167515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.167515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.167515 (E_RNA)
where:
Base-Base interactions energy: -29.574
where: short stacking energy: -22.399
Base-Backbone interact. energy: -0.041
local terms energy: -42.552393
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -7.182
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: 1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -84.652387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.652387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.652387 (E_RNA)
where:
Base-Base interactions energy: -48.292
where: short stacking energy: -26.806
Base-Backbone interact. energy: 0.680
local terms energy: -37.040521
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -0.133
tors. eta vs tors. theta energy: -2.961
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: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -204.343180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.343180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.343180 (E_RNA)
where:
Base-Base interactions energy: -139.529
where: short stacking energy: -58.755
Base-Backbone interact. energy: -0.010
local terms energy: -64.804208
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -195.635008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.635008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.635008 (E_RNA)
where:
Base-Base interactions energy: -128.782
where: short stacking energy: -50.783
Base-Backbone interact. energy: -0.226
local terms energy: -66.626353
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -198.991641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.991641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.991641 (E_RNA)
where:
Base-Base interactions energy: -130.258
where: short stacking energy: -56.781
Base-Backbone interact. energy: 0.469
local terms energy: -69.201807
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -165.944506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.944506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.944506 (E_RNA)
where:
Base-Base interactions energy: -100.031
where: short stacking energy: -40.828
Base-Backbone interact. energy: -0.006
local terms energy: -65.906695
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -145.722278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.722278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.722278 (E_RNA)
where:
Base-Base interactions energy: -89.648
where: short stacking energy: -37.900
Base-Backbone interact. energy: -0.546
local terms energy: -55.528761
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -7.695
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: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -92.898703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.898703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.898703 (E_RNA)
where:
Base-Base interactions energy: -35.816
where: short stacking energy: -35.816
Base-Backbone interact. energy: -0.025
local terms energy: -57.057362
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -83.176713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.176713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.176713 (E_RNA)
where:
Base-Base interactions energy: -40.387
where: short stacking energy: -16.991
Base-Backbone interact. energy: -1.201
local terms energy: -41.588295
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -6.995
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: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -77.640247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.640247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.640247 (E_RNA)
where:
Base-Base interactions energy: -31.024
where: short stacking energy: -29.450
Base-Backbone interact. energy: -0.134
local terms energy: -46.481979
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -88.198888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.198888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.198888 (E_RNA)
where:
Base-Base interactions energy: -42.163
where: short stacking energy: -28.937
Base-Backbone interact. energy: -0.147
local terms energy: -45.888948
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -70.697467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.697467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.697467 (E_RNA)
where:
Base-Base interactions energy: -24.747
where: short stacking energy: -16.516
Base-Backbone interact. energy: -0.105
local terms energy: -45.845818
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -7.235
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: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -207.719814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.719814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.719814 (E_RNA)
where:
Base-Base interactions energy: -134.534
where: short stacking energy: -64.972
Base-Backbone interact. energy: -0.046
local terms energy: -73.140576
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -18.936
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: 1
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -202.890065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.890065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.890065 (E_RNA)
where:
Base-Base interactions energy: -132.018
where: short stacking energy: -59.163
Base-Backbone interact. energy: -0.212
local terms energy: -70.660244
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -195.369738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.369738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.369738 (E_RNA)
where:
Base-Base interactions energy: -121.068
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.049
local terms energy: -74.252770
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -178.112372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.112372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.112372 (E_RNA)
where:
Base-Base interactions energy: -108.755
where: short stacking energy: -54.236
Base-Backbone interact. energy: -0.127
local terms energy: -69.229650
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -155.022409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.022409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.022409 (E_RNA)
where:
Base-Base interactions energy: -92.775
where: short stacking energy: -34.050
Base-Backbone interact. energy: -0.262
local terms energy: -61.985178
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -12.907
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: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -90.178829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.178829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.178829 (E_RNA)
where:
Base-Base interactions energy: -27.403
where: short stacking energy: -27.403
Base-Backbone interact. energy: -0.019
local terms energy: -62.756908
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -9.378
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: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -86.594576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.594576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.594576 (E_RNA)
where:
Base-Base interactions energy: -37.437
where: short stacking energy: -33.617
Base-Backbone interact. energy: -0.017
local terms energy: -49.140878
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -4.292
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: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -79.205344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.205344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.205344 (E_RNA)
where:
Base-Base interactions energy: -36.173
where: short stacking energy: -28.891
Base-Backbone interact. energy: -0.295
local terms energy: -42.737549
where:
bonds (distance) C4'-P energy: -8.158
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -3.203
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: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -84.998811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.998811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.998811 (E_RNA)
where:
Base-Base interactions energy: -42.898
where: short stacking energy: -20.474
Base-Backbone interact. energy: -0.357
local terms energy: -41.744282
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: 1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -76.622860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.622860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.622860 (E_RNA)
where:
Base-Base interactions energy: -33.691
where: short stacking energy: -29.892
Base-Backbone interact. energy: -0.047
local terms energy: -42.884068
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -202.097478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.097478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.097478 (E_RNA)
where:
Base-Base interactions energy: -139.463
where: short stacking energy: -63.871
Base-Backbone interact. energy: -0.770
local terms energy: -61.863721
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -205.060650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.060650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.060650 (E_RNA)
where:
Base-Base interactions energy: -128.332
where: short stacking energy: -59.369
Base-Backbone interact. energy: -0.098
local terms energy: -76.629898
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -207.373495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.373495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.373495 (E_RNA)
where:
Base-Base interactions energy: -138.495
where: short stacking energy: -57.127
Base-Backbone interact. energy: -0.002
local terms energy: -68.876254
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -17.257
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: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -154.662706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.662706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.662706 (E_RNA)
where:
Base-Base interactions energy: -93.575
where: short stacking energy: -49.954
Base-Backbone interact. energy: -0.183
local terms energy: -60.904691
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -13.879
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: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -166.671388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.671388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.671388 (E_RNA)
where:
Base-Base interactions energy: -103.211
where: short stacking energy: -38.530
Base-Backbone interact. energy: -0.022
local terms energy: -63.437760
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -14.437
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: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -91.193055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.193055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.193055 (E_RNA)
where:
Base-Base interactions energy: -34.805
where: short stacking energy: -34.805
Base-Backbone interact. energy: -0.081
local terms energy: -56.306761
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -97.286791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.286791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.286791 (E_RNA)
where:
Base-Base interactions energy: -46.359
where: short stacking energy: -24.888
Base-Backbone interact. energy: -0.137
local terms energy: -50.791197
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -10.557
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: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -75.154646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.154646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.154646 (E_RNA)
where:
Base-Base interactions energy: -25.080
where: short stacking energy: -22.054
Base-Backbone interact. energy: 0.265
local terms energy: -50.339194
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -75.791814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.791814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.791814 (E_RNA)
where:
Base-Base interactions energy: -28.327
where: short stacking energy: -23.189
Base-Backbone interact. energy: -0.530
local terms energy: -46.935159
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -71.675374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.675374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.675374 (E_RNA)
where:
Base-Base interactions energy: -25.842
where: short stacking energy: -25.096
Base-Backbone interact. energy: 0.216
local terms energy: -46.049317
where:
bonds (distance) C4'-P energy: -6.892
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: 0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -209.402913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.402913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.402913 (E_RNA)
where:
Base-Base interactions energy: -135.247
where: short stacking energy: -58.556
Base-Backbone interact. energy: -0.102
local terms energy: -74.053594
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -20.731
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: 430
Temperature: 0.950000
Total energy: -212.165673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.165673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.165673 (E_RNA)
where:
Base-Base interactions energy: -139.735
where: short stacking energy: -64.787
Base-Backbone interact. energy: -0.098
local terms energy: -72.332972
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -201.193383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.193383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.193383 (E_RNA)
where:
Base-Base interactions energy: -131.208
where: short stacking energy: -58.425
Base-Backbone interact. energy: -0.000
local terms energy: -69.984513
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -169.948135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.948135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.948135 (E_RNA)
where:
Base-Base interactions energy: -100.449
where: short stacking energy: -46.861
Base-Backbone interact. energy: -0.700
local terms energy: -68.799409
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -172.998409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.998409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.998409 (E_RNA)
where:
Base-Base interactions energy: -111.930
where: short stacking energy: -49.841
Base-Backbone interact. energy: -0.002
local terms energy: -61.066320
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -86.711389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.711389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.711389 (E_RNA)
where:
Base-Base interactions energy: -29.727
where: short stacking energy: -29.618
Base-Backbone interact. energy: 2.577
local terms energy: -59.561085
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -12.007
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: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -85.168672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.168672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.168672 (E_RNA)
where:
Base-Base interactions energy: -30.037
where: short stacking energy: -27.308
Base-Backbone interact. energy: -0.304
local terms energy: -54.827580
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -9.575
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: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -79.406481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.406481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.406481 (E_RNA)
where:
Base-Base interactions energy: -30.854
where: short stacking energy: -21.861
Base-Backbone interact. energy: -0.061
local terms energy: -48.491282
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -76.931364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.931364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.931364 (E_RNA)
where:
Base-Base interactions energy: -35.427
where: short stacking energy: -26.972
Base-Backbone interact. energy: -0.109
local terms energy: -41.396026
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -2.466
tors. eta vs tors. theta energy: 1.221
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: 430
Temperature: 1.350000
Total energy: -72.399925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.399925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.399925 (E_RNA)
where:
Base-Base interactions energy: -32.297
where: short stacking energy: -28.491
Base-Backbone interact. energy: -0.223
local terms energy: -39.879746
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -1.092
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -205.424742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.424742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.424742 (E_RNA)
where:
Base-Base interactions energy: -136.353
where: short stacking energy: -66.065
Base-Backbone interact. energy: -0.370
local terms energy: -68.701924
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -209.015299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.015299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.015299 (E_RNA)
where:
Base-Base interactions energy: -141.622
where: short stacking energy: -60.818
Base-Backbone interact. energy: -0.069
local terms energy: -67.324483
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -20.373
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: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -188.142070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.142070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.142070 (E_RNA)
where:
Base-Base interactions energy: -123.244
where: short stacking energy: -56.419
Base-Backbone interact. energy: -0.080
local terms energy: -64.817335
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -12.958
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: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -181.906863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.906863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.906863 (E_RNA)
where:
Base-Base interactions energy: -108.822
where: short stacking energy: -53.620
Base-Backbone interact. energy: -0.046
local terms energy: -73.038966
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -16.467
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: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -151.365197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.365197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.365197 (E_RNA)
where:
Base-Base interactions energy: -87.179
where: short stacking energy: -45.565
Base-Backbone interact. energy: -0.005
local terms energy: -64.181085
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -100.757870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.757870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.757870 (E_RNA)
where:
Base-Base interactions energy: -40.947
where: short stacking energy: -33.485
Base-Backbone interact. energy: -0.495
local terms energy: -59.316517
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -84.505216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.505216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.505216 (E_RNA)
where:
Base-Base interactions energy: -39.312
where: short stacking energy: -35.697
Base-Backbone interact. energy: 2.015
local terms energy: -47.207941
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -6.657
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: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -85.509372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.509372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.509372 (E_RNA)
where:
Base-Base interactions energy: -30.848
where: short stacking energy: -24.348
Base-Backbone interact. energy: -0.129
local terms energy: -54.532417
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -7.490
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -96.422257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.422257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.422257 (E_RNA)
where:
Base-Base interactions energy: -43.296
where: short stacking energy: -40.297
Base-Backbone interact. energy: -0.154
local terms energy: -52.971672
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -69.125168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.125168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.125168 (E_RNA)
where:
Base-Base interactions energy: -26.721
where: short stacking energy: -14.718
Base-Backbone interact. energy: -0.314
local terms energy: -42.090544
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: 3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -210.098527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.098527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.098527 (E_RNA)
where:
Base-Base interactions energy: -140.805
where: short stacking energy: -64.975
Base-Backbone interact. energy: -0.001
local terms energy: -69.291854
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -195.169347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.169347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.169347 (E_RNA)
where:
Base-Base interactions energy: -124.644
where: short stacking energy: -61.765
Base-Backbone interact. energy: -0.333
local terms energy: -70.192550
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -169.088072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.088072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.088072 (E_RNA)
where:
Base-Base interactions energy: -107.516
where: short stacking energy: -50.360
Base-Backbone interact. energy: 0.662
local terms energy: -62.234293
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -13.620
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: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -194.414526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.414526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.414526 (E_RNA)
where:
Base-Base interactions energy: -131.647
where: short stacking energy: -59.731
Base-Backbone interact. energy: -0.084
local terms energy: -62.683507
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -120.303704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.303704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.303704 (E_RNA)
where:
Base-Base interactions energy: -64.309
where: short stacking energy: -28.495
Base-Backbone interact. energy: -0.365
local terms energy: -55.629668
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -4.262
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: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -147.305062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.305062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.305062 (E_RNA)
where:
Base-Base interactions energy: -95.902
where: short stacking energy: -46.315
Base-Backbone interact. energy: 0.823
local terms energy: -52.226109
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -91.660348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.660348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.660348 (E_RNA)
where:
Base-Base interactions energy: -39.377
where: short stacking energy: -39.377
Base-Backbone interact. energy: -0.137
local terms energy: -52.146419
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -9.997
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: 8, replica: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -73.420401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.420401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.420401 (E_RNA)
where:
Base-Base interactions energy: -29.011
where: short stacking energy: -28.684
Base-Backbone interact. energy: 0.062
local terms energy: -44.470483
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -10.044
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: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -84.867265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.867265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.867265 (E_RNA)
where:
Base-Base interactions energy: -35.281
where: short stacking energy: -18.106
Base-Backbone interact. energy: -0.348
local terms energy: -49.238244
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -75.595414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.595414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.595414 (E_RNA)
where:
Base-Base interactions energy: -32.056
where: short stacking energy: -19.852
Base-Backbone interact. energy: -0.200
local terms energy: -43.338900
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -3.591
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: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -211.045520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.045520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.045520 (E_RNA)
where:
Base-Base interactions energy: -143.256
where: short stacking energy: -66.000
Base-Backbone interact. energy: -0.240
local terms energy: -67.549357
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -197.141622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.141622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.141622 (E_RNA)
where:
Base-Base interactions energy: -127.405
where: short stacking energy: -55.570
Base-Backbone interact. energy: -0.001
local terms energy: -69.735061
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -17.546
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: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -157.682424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.682424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.682424 (E_RNA)
where:
Base-Base interactions energy: -99.325
where: short stacking energy: -41.187
Base-Backbone interact. energy: -0.119
local terms energy: -58.238589
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -198.380832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.380832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.380832 (E_RNA)
where:
Base-Base interactions energy: -126.121
where: short stacking energy: -57.597
Base-Backbone interact. energy: -0.101
local terms energy: -72.158111
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -20.473
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: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -133.844807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.844807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.844807 (E_RNA)
where:
Base-Base interactions energy: -71.578
where: short stacking energy: -39.895
Base-Backbone interact. energy: -0.085
local terms energy: -62.181545
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: -13.365
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: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -154.682231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.682231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.682231 (E_RNA)
where:
Base-Base interactions energy: -101.884
where: short stacking energy: -41.610
Base-Backbone interact. energy: -0.473
local terms energy: -52.324449
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -82.956592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.956592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.956592 (E_RNA)
where:
Base-Base interactions energy: -28.648
where: short stacking energy: -25.881
Base-Backbone interact. energy: -0.530
local terms energy: -53.779231
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -73.318805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.318805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.318805 (E_RNA)
where:
Base-Base interactions energy: -30.524
where: short stacking energy: -20.866
Base-Backbone interact. energy: 1.407
local terms energy: -44.201861
where:
bonds (distance) C4'-P energy: -6.206
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -6.843
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: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -90.785100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.785100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.785100 (E_RNA)
where:
Base-Base interactions energy: -41.184
where: short stacking energy: -29.264
Base-Backbone interact. energy: 0.602
local terms energy: -50.203027
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -4.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -78.274049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.274049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.274049 (E_RNA)
where:
Base-Base interactions energy: -28.473
where: short stacking energy: -27.371
Base-Backbone interact. energy: -0.290
local terms energy: -49.511095
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -7.854
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: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -208.308898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.308898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.308898 (E_RNA)
where:
Base-Base interactions energy: -135.813
where: short stacking energy: -60.166
Base-Backbone interact. energy: -0.077
local terms energy: -72.419453
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -19.624
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: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -197.944158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.944158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.944158 (E_RNA)
where:
Base-Base interactions energy: -126.911
where: short stacking energy: -58.253
Base-Backbone interact. energy: -0.012
local terms energy: -71.021627
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -191.857143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.857143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.857143 (E_RNA)
where:
Base-Base interactions energy: -123.949
where: short stacking energy: -62.390
Base-Backbone interact. energy: -0.031
local terms energy: -67.877221
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -170.686336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.686336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.686336 (E_RNA)
where:
Base-Base interactions energy: -105.836
where: short stacking energy: -52.578
Base-Backbone interact. energy: -0.703
local terms energy: -64.146532
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -167.770583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.770583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.770583 (E_RNA)
where:
Base-Base interactions energy: -108.366
where: short stacking energy: -47.621
Base-Backbone interact. energy: -0.256
local terms energy: -59.148950
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -130.702092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.702092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.702092 (E_RNA)
where:
Base-Base interactions energy: -76.010
where: short stacking energy: -41.629
Base-Backbone interact. energy: -0.086
local terms energy: -54.605929
where:
bonds (distance) C4'-P energy: -7.411
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -80.890553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.890553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.890553 (E_RNA)
where:
Base-Base interactions energy: -35.983
where: short stacking energy: -30.197
Base-Backbone interact. energy: -0.200
local terms energy: -44.707781
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -7.158
flat angles P-C4'-P energy: -6.816
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: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -76.618942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.618942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.618942 (E_RNA)
where:
Base-Base interactions energy: -36.231
where: short stacking energy: -24.564
Base-Backbone interact. energy: -0.332
local terms energy: -40.056512
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -4.970
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: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -72.023762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.023762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.023762 (E_RNA)
where:
Base-Base interactions energy: -22.332
where: short stacking energy: -22.167
Base-Backbone interact. energy: -0.085
local terms energy: -49.606860
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -10.477
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: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -79.068802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.068802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.068802 (E_RNA)
where:
Base-Base interactions energy: -29.309
where: short stacking energy: -29.309
Base-Backbone interact. energy: -0.168
local terms energy: -49.591790
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -220.599376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.599376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.599376 (E_RNA)
where:
Base-Base interactions energy: -144.604
where: short stacking energy: -61.595
Base-Backbone interact. energy: -0.094
local terms energy: -75.901659
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -202.840479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.840479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.840479 (E_RNA)
where:
Base-Base interactions energy: -137.004
where: short stacking energy: -68.353
Base-Backbone interact. energy: -0.001
local terms energy: -65.835045
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -14.914
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: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -197.571677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.571677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.571677 (E_RNA)
where:
Base-Base interactions energy: -124.539
where: short stacking energy: -55.532
Base-Backbone interact. energy: -0.380
local terms energy: -72.652228
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -195.616558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.616558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.616558 (E_RNA)
where:
Base-Base interactions energy: -124.607
where: short stacking energy: -56.568
Base-Backbone interact. energy: -1.503
local terms energy: -69.506327
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -147.318612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.318612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.318612 (E_RNA)
where:
Base-Base interactions energy: -92.765
where: short stacking energy: -34.760
Base-Backbone interact. energy: -0.170
local terms energy: -54.383878
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -11.697
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: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -126.078506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.078506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.078506 (E_RNA)
where:
Base-Base interactions energy: -78.974
where: short stacking energy: -46.088
Base-Backbone interact. energy: 0.147
local terms energy: -47.251748
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -1.529
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -82.642603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.642603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.642603 (E_RNA)
where:
Base-Base interactions energy: -26.841
where: short stacking energy: -26.841
Base-Backbone interact. energy: -0.021
local terms energy: -55.780678
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -81.351118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.351118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.351118 (E_RNA)
where:
Base-Base interactions energy: -25.515
where: short stacking energy: -25.515
Base-Backbone interact. energy: -0.149
local terms energy: -55.686955
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -8.376
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: 2
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -76.590756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.590756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.590756 (E_RNA)
where:
Base-Base interactions energy: -32.021
where: short stacking energy: -24.792
Base-Backbone interact. energy: 0.518
local terms energy: -45.087863
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -7.887
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -85.288379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.288379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.288379 (E_RNA)
where:
Base-Base interactions energy: -29.802
where: short stacking energy: -29.802
Base-Backbone interact. energy: -0.003
local terms energy: -55.482739
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -3.724
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: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -212.757007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.757007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.757007 (E_RNA)
where:
Base-Base interactions energy: -141.394
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.100
local terms energy: -71.263225
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -190.047372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.047372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.047372 (E_RNA)
where:
Base-Base interactions energy: -126.213
where: short stacking energy: -63.511
Base-Backbone interact. energy: -0.068
local terms energy: -63.765865
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -190.795788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.795788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.795788 (E_RNA)
where:
Base-Base interactions energy: -117.815
where: short stacking energy: -60.491
Base-Backbone interact. energy: -0.468
local terms energy: -72.512580
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -196.762566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.762566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.762566 (E_RNA)
where:
Base-Base interactions energy: -124.209
where: short stacking energy: -63.356
Base-Backbone interact. energy: -0.007
local terms energy: -72.546607
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -21.344
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: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -152.035584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.035584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.035584 (E_RNA)
where:
Base-Base interactions energy: -98.994
where: short stacking energy: -48.900
Base-Backbone interact. energy: -0.029
local terms energy: -53.012986
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -121.433088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.433088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.433088 (E_RNA)
where:
Base-Base interactions energy: -63.261
where: short stacking energy: -36.457
Base-Backbone interact. energy: -0.812
local terms energy: -57.359535
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -86.054038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.054038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.054038 (E_RNA)
where:
Base-Base interactions energy: -32.050
where: short stacking energy: -16.876
Base-Backbone interact. energy: -0.162
local terms energy: -53.842289
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -89.584227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.584227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.584227 (E_RNA)
where:
Base-Base interactions energy: -38.333
where: short stacking energy: -38.333
Base-Backbone interact. energy: -0.000
local terms energy: -51.251038
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -11.198
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: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -72.988670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.988670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.988670 (E_RNA)
where:
Base-Base interactions energy: -26.491
where: short stacking energy: -26.958
Base-Backbone interact. energy: -0.342
local terms energy: -46.156469
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -2.162
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -69.246779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.246779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.246779 (E_RNA)
where:
Base-Base interactions energy: -18.834
where: short stacking energy: -18.834
Base-Backbone interact. energy: -0.357
local terms energy: -50.054887
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -10.594
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: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -217.763069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.763069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.763069 (E_RNA)
where:
Base-Base interactions energy: -142.831
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.096
local terms energy: -74.836239
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -178.263745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.263745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.263745 (E_RNA)
where:
Base-Base interactions energy: -117.078
where: short stacking energy: -53.215
Base-Backbone interact. energy: -0.029
local terms energy: -61.156797
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -19.055
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: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -189.162088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.162088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.162088 (E_RNA)
where:
Base-Base interactions energy: -116.293
where: short stacking energy: -56.134
Base-Backbone interact. energy: -0.004
local terms energy: -72.864660
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -194.314888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.314888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.314888 (E_RNA)
where:
Base-Base interactions energy: -121.762
where: short stacking energy: -57.084
Base-Backbone interact. energy: -0.006
local terms energy: -72.547056
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -140.037405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.037405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.037405 (E_RNA)
where:
Base-Base interactions energy: -81.751
where: short stacking energy: -39.485
Base-Backbone interact. energy: -0.217
local terms energy: -58.069575
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -5.258
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: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -113.298964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.298964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.298964 (E_RNA)
where:
Base-Base interactions energy: -59.424
where: short stacking energy: -43.870
Base-Backbone interact. energy: -0.085
local terms energy: -53.789959
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -9.284
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: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -87.722906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.722906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.722906 (E_RNA)
where:
Base-Base interactions energy: -37.924
where: short stacking energy: -37.924
Base-Backbone interact. energy: 1.252
local terms energy: -51.050926
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -8.620
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -7.473
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: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -84.868883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.868883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.868883 (E_RNA)
where:
Base-Base interactions energy: -32.241
where: short stacking energy: -32.241
Base-Backbone interact. energy: -0.044
local terms energy: -52.583555
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -11.655
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: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -82.120390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.120390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.120390 (E_RNA)
where:
Base-Base interactions energy: -35.554
where: short stacking energy: -25.151
Base-Backbone interact. energy: -0.123
local terms energy: -46.444180
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -2.833
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -67.522001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.522001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.522001 (E_RNA)
where:
Base-Base interactions energy: -28.021
where: short stacking energy: -25.332
Base-Backbone interact. energy: -0.465
local terms energy: -39.035896
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -8.690
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -210.109172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.109172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.109172 (E_RNA)
where:
Base-Base interactions energy: -139.840
where: short stacking energy: -63.513
Base-Backbone interact. energy: -0.104
local terms energy: -70.165290
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -201.545357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.545357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.545357 (E_RNA)
where:
Base-Base interactions energy: -133.770
where: short stacking energy: -60.377
Base-Backbone interact. energy: -0.134
local terms energy: -67.641158
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -206.054312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.054312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.054312 (E_RNA)
where:
Base-Base interactions energy: -137.314
where: short stacking energy: -54.768
Base-Backbone interact. energy: -0.236
local terms energy: -68.504677
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -188.920746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.920746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.920746 (E_RNA)
where:
Base-Base interactions energy: -122.623
where: short stacking energy: -62.722
Base-Backbone interact. energy: -0.073
local terms energy: -66.224233
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -146.606586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.606586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.606586 (E_RNA)
where:
Base-Base interactions energy: -87.834
where: short stacking energy: -40.958
Base-Backbone interact. energy: -0.916
local terms energy: -57.856394
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -4.986
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: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -125.731928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.731928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.731928 (E_RNA)
where:
Base-Base interactions energy: -77.734
where: short stacking energy: -36.153
Base-Backbone interact. energy: -0.160
local terms energy: -47.838125
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -8.151
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -7.743
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: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -90.718653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.718653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.718653 (E_RNA)
where:
Base-Base interactions energy: -42.433
where: short stacking energy: -38.846
Base-Backbone interact. energy: -0.227
local terms energy: -48.058600
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -79.839846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.839846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.839846 (E_RNA)
where:
Base-Base interactions energy: -31.790
where: short stacking energy: -31.599
Base-Backbone interact. energy: -0.137
local terms energy: -47.912851
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -7.937
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -84.975315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.975315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.975315 (E_RNA)
where:
Base-Base interactions energy: -31.794
where: short stacking energy: -26.526
Base-Backbone interact. energy: -0.125
local terms energy: -53.056147
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -10.218
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: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -73.251237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.251237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.251237 (E_RNA)
where:
Base-Base interactions energy: -27.416
where: short stacking energy: -23.988
Base-Backbone interact. energy: 0.923
local terms energy: -46.758139
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -214.594530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.594530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.594530 (E_RNA)
where:
Base-Base interactions energy: -147.191
where: short stacking energy: -64.129
Base-Backbone interact. energy: -0.241
local terms energy: -67.162998
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -202.703808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.703808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.703808 (E_RNA)
where:
Base-Base interactions energy: -129.245
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.333
local terms energy: -73.125312
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -194.478293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.478293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.478293 (E_RNA)
where:
Base-Base interactions energy: -125.486
where: short stacking energy: -53.113
Base-Backbone interact. energy: -0.157
local terms energy: -68.834971
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -17.318
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: 439
Temperature: 1.050000
Total energy: -196.050553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.050553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.050553 (E_RNA)
where:
Base-Base interactions energy: -127.450
where: short stacking energy: -54.031
Base-Backbone interact. energy: -0.100
local terms energy: -68.500671
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -17.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -140.903272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.903272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.903272 (E_RNA)
where:
Base-Base interactions energy: -78.207
where: short stacking energy: -45.551
Base-Backbone interact. energy: -0.100
local terms energy: -62.595666
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -9.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -147.900888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.900888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.900888 (E_RNA)
where:
Base-Base interactions energy: -87.015
where: short stacking energy: -52.998
Base-Backbone interact. energy: -0.036
local terms energy: -60.849681
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -84.900840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.900840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.900840 (E_RNA)
where:
Base-Base interactions energy: -30.756
where: short stacking energy: -26.534
Base-Backbone interact. energy: -0.130
local terms energy: -54.015286
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -113.359230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.359230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.359230 (E_RNA)
where:
Base-Base interactions energy: -78.708
where: short stacking energy: -31.960
Base-Backbone interact. energy: -1.189
local terms energy: -33.462506
where:
bonds (distance) C4'-P energy: -4.384
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -4.275
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -77.222234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.222234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.222234 (E_RNA)
where:
Base-Base interactions energy: -35.613
where: short stacking energy: -35.613
Base-Backbone interact. energy: -0.074
local terms energy: -41.535698
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -1.519
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -73.079897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.079897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.079897 (E_RNA)
where:
Base-Base interactions energy: -27.545
where: short stacking energy: -27.545
Base-Backbone interact. energy: -0.038
local terms energy: -45.496336
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -8.951
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -214.464729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.464729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.464729 (E_RNA)
where:
Base-Base interactions energy: -139.756
where: short stacking energy: -66.312
Base-Backbone interact. energy: -0.088
local terms energy: -74.620353
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -183.056502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.056502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.056502 (E_RNA)
where:
Base-Base interactions energy: -113.516
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.181
local terms energy: -69.358866
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -200.477226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.477226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.477226 (E_RNA)
where:
Base-Base interactions energy: -129.223
where: short stacking energy: -63.257
Base-Backbone interact. energy: -0.098
local terms energy: -71.156295
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -20.679
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: 440
Temperature: 1.050000
Total energy: -191.848276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.848276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.848276 (E_RNA)
where:
Base-Base interactions energy: -124.970
where: short stacking energy: -55.181
Base-Backbone interact. energy: -0.116
local terms energy: -66.762756
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -140.277531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.277531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.277531 (E_RNA)
where:
Base-Base interactions energy: -90.553
where: short stacking energy: -39.534
Base-Backbone interact. energy: 0.131
local terms energy: -49.856106
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -6.905
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -6.403
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: 440
Temperature: 1.150000
Total energy: -95.221462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.221462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.221462 (E_RNA)
where:
Base-Base interactions energy: -58.940
where: short stacking energy: -31.817
Base-Backbone interact. energy: -1.478
local terms energy: -34.804043
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -121.970774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.970774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.970774 (E_RNA)
where:
Base-Base interactions energy: -61.464
where: short stacking energy: -31.790
Base-Backbone interact. energy: 0.465
local terms energy: -60.971118
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -78.120861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.120861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.120861 (E_RNA)
where:
Base-Base interactions energy: -37.439
where: short stacking energy: -26.593
Base-Backbone interact. energy: 0.534
local terms energy: -41.216261
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: 1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -79.017034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.017034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.017034 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -25.850
Base-Backbone interact. energy: 2.180
local terms energy: -51.673663
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -2.573
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -70.754040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.754040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.754040 (E_RNA)
where:
Base-Base interactions energy: -23.652
where: short stacking energy: -23.443
Base-Backbone interact. energy: -0.029
local terms energy: -47.072354
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -6.007
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: 1, replica: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -218.185434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.185434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.185434 (E_RNA)
where:
Base-Base interactions energy: -142.514
where: short stacking energy: -58.928
Base-Backbone interact. energy: -0.086
local terms energy: -75.584820
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -203.635399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.635399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.635399 (E_RNA)
where:
Base-Base interactions energy: -133.875
where: short stacking energy: -53.048
Base-Backbone interact. energy: -0.001
local terms energy: -69.758461
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -174.047810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.047810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.047810 (E_RNA)
where:
Base-Base interactions energy: -102.151
where: short stacking energy: -51.916
Base-Backbone interact. energy: -0.068
local terms energy: -71.828346
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -186.677925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.677925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.677925 (E_RNA)
where:
Base-Base interactions energy: -120.683
where: short stacking energy: -53.137
Base-Backbone interact. energy: -0.005
local terms energy: -65.989333
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -153.170142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.170142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.170142 (E_RNA)
where:
Base-Base interactions energy: -99.935
where: short stacking energy: -36.285
Base-Backbone interact. energy: 2.448
local terms energy: -55.683528
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -105.719864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.719864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.719864 (E_RNA)
where:
Base-Base interactions energy: -58.568
where: short stacking energy: -36.478
Base-Backbone interact. energy: -0.086
local terms energy: -47.065442
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -90.409158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.409158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.409158 (E_RNA)
where:
Base-Base interactions energy: -44.234
where: short stacking energy: -33.375
Base-Backbone interact. energy: -0.099
local terms energy: -46.076389
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -4.921
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: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -82.884150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.884150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.884150 (E_RNA)
where:
Base-Base interactions energy: -27.195
where: short stacking energy: -27.195
Base-Backbone interact. energy: -0.352
local terms energy: -55.337084
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -81.668290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.668290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.668290 (E_RNA)
where:
Base-Base interactions energy: -30.807
where: short stacking energy: -30.807
Base-Backbone interact. energy: -0.033
local terms energy: -50.828585
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -3.811
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: 441
Temperature: 1.350000
Total energy: -68.714962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.714962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.714962 (E_RNA)
where:
Base-Base interactions energy: -22.020
where: short stacking energy: -22.020
Base-Backbone interact. energy: -0.099
local terms energy: -46.595982
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -6.910
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -3.829
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: 1, replica: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -213.296208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.296208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.296208 (E_RNA)
where:
Base-Base interactions energy: -139.922
where: short stacking energy: -57.127
Base-Backbone interact. energy: -0.021
local terms energy: -73.353131
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -206.186187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.186187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.186187 (E_RNA)
where:
Base-Base interactions energy: -138.447
where: short stacking energy: -65.001
Base-Backbone interact. energy: -0.001
local terms energy: -67.738436
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -197.610500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.610500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.610500 (E_RNA)
where:
Base-Base interactions energy: -133.490
where: short stacking energy: -60.864
Base-Backbone interact. energy: -0.003
local terms energy: -64.117489
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -15.805
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: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -158.032038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.032038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.032038 (E_RNA)
where:
Base-Base interactions energy: -98.066
where: short stacking energy: -45.332
Base-Backbone interact. energy: -0.007
local terms energy: -59.958790
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -7.330
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: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -143.797560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.797560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.797560 (E_RNA)
where:
Base-Base interactions energy: -89.334
where: short stacking energy: -45.571
Base-Backbone interact. energy: -0.060
local terms energy: -54.402930
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -102.173066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.173066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.173066 (E_RNA)
where:
Base-Base interactions energy: -44.921
where: short stacking energy: -36.278
Base-Backbone interact. energy: 0.347
local terms energy: -57.599747
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -10.151
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: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -90.369041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.369041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.369041 (E_RNA)
where:
Base-Base interactions energy: -35.017
where: short stacking energy: -31.418
Base-Backbone interact. energy: -0.159
local terms energy: -55.193382
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -3.202
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: 5
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -87.032251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.032251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.032251 (E_RNA)
where:
Base-Base interactions energy: -33.834
where: short stacking energy: -28.196
Base-Backbone interact. energy: -0.601
local terms energy: -52.597007
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -6.223
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: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -67.443524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.443524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.443524 (E_RNA)
where:
Base-Base interactions energy: -28.120
where: short stacking energy: -24.285
Base-Backbone interact. energy: 0.338
local terms energy: -39.660854
where:
bonds (distance) C4'-P energy: -9.803
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -7.153
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -70.965701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.965701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.965701 (E_RNA)
where:
Base-Base interactions energy: -38.049
where: short stacking energy: -11.523
Base-Backbone interact. energy: 1.224
local terms energy: -34.140704
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: 10.577
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: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -202.398698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.398698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.398698 (E_RNA)
where:
Base-Base interactions energy: -129.560
where: short stacking energy: -51.565
Base-Backbone interact. energy: -0.002
local terms energy: -72.837039
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -208.596957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.596957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.596957 (E_RNA)
where:
Base-Base interactions energy: -135.709
where: short stacking energy: -59.567
Base-Backbone interact. energy: -0.002
local terms energy: -72.886673
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -17.598
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: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -208.542169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.542169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.542169 (E_RNA)
where:
Base-Base interactions energy: -140.387
where: short stacking energy: -58.287
Base-Backbone interact. energy: -0.078
local terms energy: -68.076769
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -160.416034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.416034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.416034 (E_RNA)
where:
Base-Base interactions energy: -93.480
where: short stacking energy: -38.903
Base-Backbone interact. energy: -0.764
local terms energy: -66.171951
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -10.003
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: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -155.400720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.400720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.400720 (E_RNA)
where:
Base-Base interactions energy: -89.230
where: short stacking energy: -47.523
Base-Backbone interact. energy: 0.344
local terms energy: -66.514948
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -97.913797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.913797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.913797 (E_RNA)
where:
Base-Base interactions energy: -33.016
where: short stacking energy: -33.016
Base-Backbone interact. energy: -0.102
local terms energy: -64.796542
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -10.049
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: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -87.917636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.917636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.917636 (E_RNA)
where:
Base-Base interactions energy: -46.794
where: short stacking energy: -29.934
Base-Backbone interact. energy: 1.324
local terms energy: -42.448075
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -93.989393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.989393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.989393 (E_RNA)
where:
Base-Base interactions energy: -49.247
where: short stacking energy: -25.932
Base-Backbone interact. energy: -0.050
local terms energy: -44.692387
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -2.919
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -93.224661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.224661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.224661 (E_RNA)
where:
Base-Base interactions energy: -40.144
where: short stacking energy: -37.112
Base-Backbone interact. energy: -0.104
local terms energy: -52.976300
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -85.582196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.582196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.582196 (E_RNA)
where:
Base-Base interactions energy: -32.420
where: short stacking energy: -32.380
Base-Backbone interact. energy: -0.006
local terms energy: -53.156263
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -203.377011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.377011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.377011 (E_RNA)
where:
Base-Base interactions energy: -130.185
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.001
local terms energy: -73.191621
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -199.798755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.798755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.798755 (E_RNA)
where:
Base-Base interactions energy: -129.626
where: short stacking energy: -52.340
Base-Backbone interact. energy: -0.339
local terms energy: -69.833961
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -201.478178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.478178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.478178 (E_RNA)
where:
Base-Base interactions energy: -129.810
where: short stacking energy: -64.147
Base-Backbone interact. energy: -0.238
local terms energy: -71.430115
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -18.469
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: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -148.379487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.379487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.379487 (E_RNA)
where:
Base-Base interactions energy: -89.152
where: short stacking energy: -48.780
Base-Backbone interact. energy: 0.179
local terms energy: -59.405739
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -13.695
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: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -158.492429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.492429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.492429 (E_RNA)
where:
Base-Base interactions energy: -94.402
where: short stacking energy: -46.874
Base-Backbone interact. energy: -0.013
local terms energy: -64.077632
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -13.022
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: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -99.601245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.601245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.601245 (E_RNA)
where:
Base-Base interactions energy: -55.110
where: short stacking energy: -20.054
Base-Backbone interact. energy: -0.308
local terms energy: -44.182867
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -6.980
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: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -108.116695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.116695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.116695 (E_RNA)
where:
Base-Base interactions energy: -54.228
where: short stacking energy: -23.760
Base-Backbone interact. energy: 0.433
local terms energy: -54.321088
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -5.969
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: 8, replica: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -93.401202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.401202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.401202 (E_RNA)
where:
Base-Base interactions energy: -30.422
where: short stacking energy: -30.422
Base-Backbone interact. energy: -0.037
local terms energy: -62.941777
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -10.067
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: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -81.399766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.399766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.399766 (E_RNA)
where:
Base-Base interactions energy: -32.844
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.180
local terms energy: -48.376270
where:
bonds (distance) C4'-P energy: -9.783
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -67.845096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.845096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.845096 (E_RNA)
where:
Base-Base interactions energy: -22.103
where: short stacking energy: -22.103
Base-Backbone interact. energy: 0.052
local terms energy: -45.793885
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -0.423
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: 445
Temperature: 0.900000
Total energy: -218.444753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.444753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.444753 (E_RNA)
where:
Base-Base interactions energy: -147.183
where: short stacking energy: -65.197
Base-Backbone interact. energy: 0.460
local terms energy: -71.722179
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -22.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -192.966382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.966382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.966382 (E_RNA)
where:
Base-Base interactions energy: -120.093
where: short stacking energy: -53.826
Base-Backbone interact. energy: -0.097
local terms energy: -72.776518
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -191.972160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.972160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.972160 (E_RNA)
where:
Base-Base interactions energy: -123.319
where: short stacking energy: -59.019
Base-Backbone interact. energy: -0.109
local terms energy: -68.544081
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -18.028
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: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -180.815244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.815244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.815244 (E_RNA)
where:
Base-Base interactions energy: -113.467
where: short stacking energy: -51.887
Base-Backbone interact. energy: -0.001
local terms energy: -67.347762
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -176.860485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.860485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.860485 (E_RNA)
where:
Base-Base interactions energy: -115.261
where: short stacking energy: -53.937
Base-Backbone interact. energy: 0.475
local terms energy: -62.074691
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -149.582174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.582174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.582174 (E_RNA)
where:
Base-Base interactions energy: -89.922
where: short stacking energy: -39.274
Base-Backbone interact. energy: -0.719
local terms energy: -58.941248
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -91.100428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.100428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.100428 (E_RNA)
where:
Base-Base interactions energy: -41.609
where: short stacking energy: -37.389
Base-Backbone interact. energy: -0.110
local terms energy: -49.381360
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -8.255
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: 8, replica: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -83.607299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.607299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.607299 (E_RNA)
where:
Base-Base interactions energy: -34.289
where: short stacking energy: -32.362
Base-Backbone interact. energy: 1.793
local terms energy: -51.111584
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -5.759
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: 2
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -75.733488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.733488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.733488 (E_RNA)
where:
Base-Base interactions energy: -27.092
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.237
local terms energy: -48.403748
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -4.649
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: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -68.923983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.923983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.923983 (E_RNA)
where:
Base-Base interactions energy: -22.992
where: short stacking energy: -18.658
Base-Backbone interact. energy: 0.204
local terms energy: -46.136412
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -5.413
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: 1, replica: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -205.191514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.191514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.191514 (E_RNA)
where:
Base-Base interactions energy: -130.446
where: short stacking energy: -54.408
Base-Backbone interact. energy: -0.044
local terms energy: -74.700835
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -212.499942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.499942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.499942 (E_RNA)
where:
Base-Base interactions energy: -143.112
where: short stacking energy: -60.770
Base-Backbone interact. energy: -0.002
local terms energy: -69.385912
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -19.907
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: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -189.162531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.162531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.162531 (E_RNA)
where:
Base-Base interactions energy: -120.605
where: short stacking energy: -55.161
Base-Backbone interact. energy: 1.311
local terms energy: -69.869268
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -17.009
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: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -166.836513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.836513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.836513 (E_RNA)
where:
Base-Base interactions energy: -101.056
where: short stacking energy: -49.136
Base-Backbone interact. energy: -0.182
local terms energy: -65.598288
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -11.919
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: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -157.073886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.073886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.073886 (E_RNA)
where:
Base-Base interactions energy: -94.633
where: short stacking energy: -44.270
Base-Backbone interact. energy: -0.238
local terms energy: -62.202934
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -138.708720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.708720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.708720 (E_RNA)
where:
Base-Base interactions energy: -79.293
where: short stacking energy: -28.970
Base-Backbone interact. energy: -1.910
local terms energy: -57.505240
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -82.083501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.083501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.083501 (E_RNA)
where:
Base-Base interactions energy: -31.344
where: short stacking energy: -22.624
Base-Backbone interact. energy: -0.041
local terms energy: -50.698968
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -3.508
tors. eta vs tors. theta energy: -4.255
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: 446
Temperature: 1.250000
Total energy: -116.161768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.161768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.161768 (E_RNA)
where:
Base-Base interactions energy: -65.504
where: short stacking energy: -35.676
Base-Backbone interact. energy: -0.271
local terms energy: -50.386501
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -9.178
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -86.560636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.560636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.560636 (E_RNA)
where:
Base-Base interactions energy: -36.881
where: short stacking energy: -26.682
Base-Backbone interact. energy: 0.495
local terms energy: -50.174312
where:
bonds (distance) C4'-P energy: -7.319
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -68.077237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.077237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.077237 (E_RNA)
where:
Base-Base interactions energy: -17.993
where: short stacking energy: -17.993
Base-Backbone interact. energy: -0.234
local terms energy: -49.849987
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -206.272189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.272189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.272189 (E_RNA)
where:
Base-Base interactions energy: -132.821
where: short stacking energy: -56.770
Base-Backbone interact. energy: -0.008
local terms energy: -73.443609
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -195.970469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.970469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.970469 (E_RNA)
where:
Base-Base interactions energy: -122.625
where: short stacking energy: -54.692
Base-Backbone interact. energy: -0.095
local terms energy: -73.250222
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -192.408475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.408475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.408475 (E_RNA)
where:
Base-Base interactions energy: -121.331
where: short stacking energy: -55.158
Base-Backbone interact. energy: -0.042
local terms energy: -71.035450
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -169.184543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.184543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.184543 (E_RNA)
where:
Base-Base interactions energy: -111.480
where: short stacking energy: -41.951
Base-Backbone interact. energy: -0.893
local terms energy: -56.812142
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -2.115
tors. eta vs tors. theta energy: -14.049
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: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -183.675498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.675498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.675498 (E_RNA)
where:
Base-Base interactions energy: -114.471
where: short stacking energy: -50.915
Base-Backbone interact. energy: -0.006
local terms energy: -69.198936
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -7.650
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -20.407
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: 447
Temperature: 1.150000
Total energy: -126.576093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.576093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.576093 (E_RNA)
where:
Base-Base interactions energy: -75.782
where: short stacking energy: -40.295
Base-Backbone interact. energy: -0.543
local terms energy: -50.251111
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -7.976
flat angles P-C4'-P energy: -9.641
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: 7, replica: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -82.139990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.139990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.139990 (E_RNA)
where:
Base-Base interactions energy: -25.010
where: short stacking energy: -25.010
Base-Backbone interact. energy: -0.100
local terms energy: -57.030614
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -110.963693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.963693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.963693 (E_RNA)
where:
Base-Base interactions energy: -67.588
where: short stacking energy: -31.870
Base-Backbone interact. energy: -0.357
local terms energy: -43.018868
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -6.484
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -69.962643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.962643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.962643 (E_RNA)
where:
Base-Base interactions energy: -18.109
where: short stacking energy: -18.109
Base-Backbone interact. energy: -0.048
local terms energy: -51.805419
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: 0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -74.912575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.912575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.912575 (E_RNA)
where:
Base-Base interactions energy: -24.434
where: short stacking energy: -24.434
Base-Backbone interact. energy: -0.063
local terms energy: -50.416179
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -8.170
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: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -215.619242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.619242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.619242 (E_RNA)
where:
Base-Base interactions energy: -141.162
where: short stacking energy: -60.107
Base-Backbone interact. energy: -1.051
local terms energy: -73.406404
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -194.975914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.975914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.975914 (E_RNA)
where:
Base-Base interactions energy: -120.730
where: short stacking energy: -49.956
Base-Backbone interact. energy: -0.739
local terms energy: -73.506743
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -187.859102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.859102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.859102 (E_RNA)
where:
Base-Base interactions energy: -123.109
where: short stacking energy: -49.005
Base-Backbone interact. energy: 0.683
local terms energy: -65.433238
where:
bonds (distance) C4'-P energy: -6.387
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -18.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -169.126853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.126853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.126853 (E_RNA)
where:
Base-Base interactions energy: -107.820
where: short stacking energy: -41.380
Base-Backbone interact. energy: 0.683
local terms energy: -61.989739
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -184.420282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.420282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.420282 (E_RNA)
where:
Base-Base interactions energy: -117.780
where: short stacking energy: -55.637
Base-Backbone interact. energy: 0.321
local terms energy: -66.960851
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -17.332
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: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -92.008152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.008152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.008152 (E_RNA)
where:
Base-Base interactions energy: -33.199
where: short stacking energy: -31.200
Base-Backbone interact. energy: -0.005
local terms energy: -58.804315
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -98.480100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.480100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.480100 (E_RNA)
where:
Base-Base interactions energy: -45.323
where: short stacking energy: -45.323
Base-Backbone interact. energy: -0.149
local terms energy: -53.007875
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -8.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -81.775366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.775366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.775366 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -24.299
Base-Backbone interact. energy: -0.251
local terms energy: -51.558746
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -79.326030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.326030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.326030 (E_RNA)
where:
Base-Base interactions energy: -23.492
where: short stacking energy: -21.665
Base-Backbone interact. energy: -0.036
local terms energy: -55.798768
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -5.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -77.629707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.629707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.629707 (E_RNA)
where:
Base-Base interactions energy: -30.961
where: short stacking energy: -19.991
Base-Backbone interact. energy: -0.326
local terms energy: -46.342703
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -7.419
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -9.157
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: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -219.908716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.908716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.908716 (E_RNA)
where:
Base-Base interactions energy: -146.049
where: short stacking energy: -69.163
Base-Backbone interact. energy: 0.151
local terms energy: -74.010839
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -19.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -206.781150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.781150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.781150 (E_RNA)
where:
Base-Base interactions energy: -135.090
where: short stacking energy: -57.714
Base-Backbone interact. energy: -0.005
local terms energy: -71.686336
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -205.369820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.369820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.369820 (E_RNA)
where:
Base-Base interactions energy: -129.060
where: short stacking energy: -58.072
Base-Backbone interact. energy: -0.047
local terms energy: -76.263122
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -197.458061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.458061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.458061 (E_RNA)
where:
Base-Base interactions energy: -126.465
where: short stacking energy: -55.792
Base-Backbone interact. energy: -0.001
local terms energy: -70.991221
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -17.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -160.901096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.901096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.901096 (E_RNA)
where:
Base-Base interactions energy: -106.307
where: short stacking energy: -43.988
Base-Backbone interact. energy: -0.010
local terms energy: -54.584473
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -101.346511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.346511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.346511 (E_RNA)
where:
Base-Base interactions energy: -48.859
where: short stacking energy: -34.551
Base-Backbone interact. energy: 0.605
local terms energy: -53.092343
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -9.197
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: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -105.415995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.415995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.415995 (E_RNA)
where:
Base-Base interactions energy: -51.850
where: short stacking energy: -34.053
Base-Backbone interact. energy: -0.095
local terms energy: -53.471096
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -9.149
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: 2
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -78.926327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.926327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.926327 (E_RNA)
where:
Base-Base interactions energy: -28.655
where: short stacking energy: -26.735
Base-Backbone interact. energy: -0.045
local terms energy: -50.226300
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -3.750
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: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -101.361345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.361345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.361345 (E_RNA)
where:
Base-Base interactions energy: -53.945
where: short stacking energy: -25.106
Base-Backbone interact. energy: -0.130
local terms energy: -47.286640
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -6.610
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -65.343389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.343389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.343389 (E_RNA)
where:
Base-Base interactions energy: -16.136
where: short stacking energy: -17.202
Base-Backbone interact. energy: -0.141
local terms energy: -49.066585
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -214.037480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.037480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.037480 (E_RNA)
where:
Base-Base interactions energy: -137.160
where: short stacking energy: -63.862
Base-Backbone interact. energy: -0.011
local terms energy: -76.866315
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -20.102
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: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -207.279774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.279774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.279774 (E_RNA)
where:
Base-Base interactions energy: -139.273
where: short stacking energy: -62.518
Base-Backbone interact. energy: -0.080
local terms energy: -67.926595
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -20.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -194.164340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.164340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.164340 (E_RNA)
where:
Base-Base interactions energy: -128.604
where: short stacking energy: -55.620
Base-Backbone interact. energy: -0.006
local terms energy: -65.555065
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -205.976397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.976397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.976397 (E_RNA)
where:
Base-Base interactions energy: -128.344
where: short stacking energy: -58.262
Base-Backbone interact. energy: -0.075
local terms energy: -77.557366
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -166.495845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.495845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.495845 (E_RNA)
where:
Base-Base interactions energy: -97.989
where: short stacking energy: -44.478
Base-Backbone interact. energy: -0.263
local terms energy: -68.243825
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -110.310898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.310898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.310898 (E_RNA)
where:
Base-Base interactions energy: -55.843
where: short stacking energy: -31.572
Base-Backbone interact. energy: -0.100
local terms energy: -54.367952
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -9.959
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: 7, replica: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -103.154305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.154305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.154305 (E_RNA)
where:
Base-Base interactions energy: -48.746
where: short stacking energy: -28.722
Base-Backbone interact. energy: 0.534
local terms energy: -54.942330
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -8.597
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: 8, replica: 2
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -95.357833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.357833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.357833 (E_RNA)
where:
Base-Base interactions energy: -52.890
where: short stacking energy: -28.124
Base-Backbone interact. energy: -0.181
local terms energy: -42.287221
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -1.680
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: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -76.328631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.328631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.328631 (E_RNA)
where:
Base-Base interactions energy: -31.052
where: short stacking energy: -17.222
Base-Backbone interact. energy: -0.238
local terms energy: -45.038724
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: 4.399
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: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -79.198399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.198399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.198399 (E_RNA)
where:
Base-Base interactions energy: -32.072
where: short stacking energy: -31.070
Base-Backbone interact. energy: -0.174
local terms energy: -46.952302
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -8.339
flat angles P-C4'-P energy: -9.091
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: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -214.931162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.931162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.931162 (E_RNA)
where:
Base-Base interactions energy: -142.147
where: short stacking energy: -66.131
Base-Backbone interact. energy: -0.077
local terms energy: -72.707759
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -210.611940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.611940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.611940 (E_RNA)
where:
Base-Base interactions energy: -136.763
where: short stacking energy: -61.531
Base-Backbone interact. energy: -0.077
local terms energy: -73.771584
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -197.855035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.855035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.855035 (E_RNA)
where:
Base-Base interactions energy: -129.277
where: short stacking energy: -55.465
Base-Backbone interact. energy: -0.006
local terms energy: -68.571898
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -16.267
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: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -155.834912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.834912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.834912 (E_RNA)
where:
Base-Base interactions energy: -90.390
where: short stacking energy: -39.690
Base-Backbone interact. energy: 2.372
local terms energy: -67.816190
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -181.332277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.332277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.332277 (E_RNA)
where:
Base-Base interactions energy: -115.488
where: short stacking energy: -52.720
Base-Backbone interact. energy: -0.781
local terms energy: -65.063245
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -90.608098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.608098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.608098 (E_RNA)
where:
Base-Base interactions energy: -41.023
where: short stacking energy: -29.036
Base-Backbone interact. energy: -0.092
local terms energy: -49.493299
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -3.197
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -93.882191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.882191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.882191 (E_RNA)
where:
Base-Base interactions energy: -42.967
where: short stacking energy: -42.161
Base-Backbone interact. energy: 1.795
local terms energy: -52.710911
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -7.957
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: 451
Temperature: 1.250000
Total energy: -81.064554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.064554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.064554 (E_RNA)
where:
Base-Base interactions energy: -38.646
where: short stacking energy: -24.707
Base-Backbone interact. energy: -0.050
local terms energy: -42.368501
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -11.646
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -4.084
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -76.051206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.051206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.051206 (E_RNA)
where:
Base-Base interactions energy: -33.539
where: short stacking energy: -32.739
Base-Backbone interact. energy: -0.199
local terms energy: -42.313320
where:
bonds (distance) C4'-P energy: -5.964
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -7.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -68.561070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.561070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.561070 (E_RNA)
where:
Base-Base interactions energy: -29.603
where: short stacking energy: -23.519
Base-Backbone interact. energy: -0.309
local terms energy: -38.648930
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: 6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -208.949915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.949915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.949915 (E_RNA)
where:
Base-Base interactions energy: -134.949
where: short stacking energy: -63.134
Base-Backbone interact. energy: -0.575
local terms energy: -73.425676
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -195.985061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.985061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.985061 (E_RNA)
where:
Base-Base interactions energy: -130.279
where: short stacking energy: -58.496
Base-Backbone interact. energy: -0.111
local terms energy: -65.595238
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -199.772375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.772375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.772375 (E_RNA)
where:
Base-Base interactions energy: -132.792
where: short stacking energy: -53.693
Base-Backbone interact. energy: 0.337
local terms energy: -67.317898
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -160.775584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.775584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.775584 (E_RNA)
where:
Base-Base interactions energy: -101.048
where: short stacking energy: -42.139
Base-Backbone interact. energy: -0.610
local terms energy: -59.117812
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -4.616
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -189.642340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.642340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.642340 (E_RNA)
where:
Base-Base interactions energy: -123.990
where: short stacking energy: -58.038
Base-Backbone interact. energy: -0.001
local terms energy: -65.652114
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -18.179
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: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -111.527138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.527138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.527138 (E_RNA)
where:
Base-Base interactions energy: -57.621
where: short stacking energy: -45.787
Base-Backbone interact. energy: -0.138
local terms energy: -53.767854
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -8.345
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: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -90.345826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.345826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.345826 (E_RNA)
where:
Base-Base interactions energy: -36.081
where: short stacking energy: -35.873
Base-Backbone interact. energy: 0.257
local terms energy: -54.522129
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -85.346337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.346337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.346337 (E_RNA)
where:
Base-Base interactions energy: -31.691
where: short stacking energy: -31.691
Base-Backbone interact. energy: -0.070
local terms energy: -53.585696
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -3.132
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: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -76.855823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.855823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.855823 (E_RNA)
where:
Base-Base interactions energy: -40.174
where: short stacking energy: -26.247
Base-Backbone interact. energy: -0.313
local terms energy: -36.369526
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -8.655
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -77.557090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.557090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.557090 (E_RNA)
where:
Base-Base interactions energy: -29.887
where: short stacking energy: -29.860
Base-Backbone interact. energy: -0.533
local terms energy: -47.137435
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -6.738
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -212.264791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.264791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.264791 (E_RNA)
where:
Base-Base interactions energy: -141.792
where: short stacking energy: -63.969
Base-Backbone interact. energy: -0.215
local terms energy: -70.258001
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -217.945475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.945475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.945475 (E_RNA)
where:
Base-Base interactions energy: -144.420
where: short stacking energy: -69.387
Base-Backbone interact. energy: -0.042
local terms energy: -73.483436
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -189.737960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.737960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.737960 (E_RNA)
where:
Base-Base interactions energy: -124.668
where: short stacking energy: -53.064
Base-Backbone interact. energy: -0.095
local terms energy: -64.974676
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -193.212265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.212265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.212265 (E_RNA)
where:
Base-Base interactions energy: -124.009
where: short stacking energy: -48.702
Base-Backbone interact. energy: -0.096
local terms energy: -69.107244
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -21.141
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: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -156.253856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.253856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.253856 (E_RNA)
where:
Base-Base interactions energy: -93.442
where: short stacking energy: -46.514
Base-Backbone interact. energy: -0.004
local terms energy: -62.808169
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -101.581142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.581142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.581142 (E_RNA)
where:
Base-Base interactions energy: -51.969
where: short stacking energy: -40.601
Base-Backbone interact. energy: -0.095
local terms energy: -49.516687
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -8.005
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: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -93.701053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.701053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.701053 (E_RNA)
where:
Base-Base interactions energy: -46.441
where: short stacking energy: -30.417
Base-Backbone interact. energy: -0.668
local terms energy: -46.591198
where:
bonds (distance) C4'-P energy: -9.144
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -9.944
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: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -81.894885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.894885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.894885 (E_RNA)
where:
Base-Base interactions energy: -31.692
where: short stacking energy: -28.469
Base-Backbone interact. energy: 0.609
local terms energy: -50.811778
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.617
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: 9, replica: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -76.339482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.339482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.339482 (E_RNA)
where:
Base-Base interactions energy: -26.403
where: short stacking energy: -26.403
Base-Backbone interact. energy: 0.080
local terms energy: -50.016212
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -76.991218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.991218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.991218 (E_RNA)
where:
Base-Base interactions energy: -38.195
where: short stacking energy: -19.176
Base-Backbone interact. energy: -0.222
local terms energy: -38.573755
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: 1.006
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: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -213.647846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.647846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.647846 (E_RNA)
where:
Base-Base interactions energy: -136.512
where: short stacking energy: -65.409
Base-Backbone interact. energy: -0.091
local terms energy: -77.045166
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -211.051202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.051202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.051202 (E_RNA)
where:
Base-Base interactions energy: -144.979
where: short stacking energy: -65.631
Base-Backbone interact. energy: -0.056
local terms energy: -66.016801
where:
bonds (distance) C4'-P energy: -9.102
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -22.382
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: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -199.824983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.824983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.824983 (E_RNA)
where:
Base-Base interactions energy: -131.967
where: short stacking energy: -54.355
Base-Backbone interact. energy: -0.029
local terms energy: -67.828830
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -193.683921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.683921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.683921 (E_RNA)
where:
Base-Base interactions energy: -126.770
where: short stacking energy: -49.469
Base-Backbone interact. energy: -1.127
local terms energy: -65.787635
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -97.259488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.259488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.259488 (E_RNA)
where:
Base-Base interactions energy: -39.363
where: short stacking energy: -39.363
Base-Backbone interact. energy: -0.217
local terms energy: -57.679919
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -152.006387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.006387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.006387 (E_RNA)
where:
Base-Base interactions energy: -101.316
where: short stacking energy: -50.715
Base-Backbone interact. energy: -0.582
local terms energy: -50.107931
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -82.991639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.991639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.991639 (E_RNA)
where:
Base-Base interactions energy: -27.283
where: short stacking energy: -25.338
Base-Backbone interact. energy: -0.238
local terms energy: -55.469981
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -0.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -68.773453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.773453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.773453 (E_RNA)
where:
Base-Base interactions energy: -24.324
where: short stacking energy: -18.723
Base-Backbone interact. energy: 0.683
local terms energy: -45.132446
where:
bonds (distance) C4'-P energy: -5.315
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -85.535924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.535924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.535924 (E_RNA)
where:
Base-Base interactions energy: -31.663
where: short stacking energy: -31.000
Base-Backbone interact. energy: 0.226
local terms energy: -54.098660
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -8.230
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -69.889071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.889071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.889071 (E_RNA)
where:
Base-Base interactions energy: -22.434
where: short stacking energy: -22.434
Base-Backbone interact. energy: -0.044
local terms energy: -47.411019
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: 1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -208.240874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.240874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.240874 (E_RNA)
where:
Base-Base interactions energy: -135.137
where: short stacking energy: -61.951
Base-Backbone interact. energy: 0.723
local terms energy: -73.826594
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -17.738
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: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -207.737906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.737906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.737906 (E_RNA)
where:
Base-Base interactions energy: -137.653
where: short stacking energy: -58.674
Base-Backbone interact. energy: -0.090
local terms energy: -69.995494
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -187.866981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.866981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.866981 (E_RNA)
where:
Base-Base interactions energy: -122.245
where: short stacking energy: -57.536
Base-Backbone interact. energy: -0.122
local terms energy: -65.499933
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -189.407635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.407635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.407635 (E_RNA)
where:
Base-Base interactions energy: -136.770
where: short stacking energy: -47.394
Base-Backbone interact. energy: -0.420
local terms energy: -52.217539
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: 0.754
tors. eta vs tors. theta energy: -11.137
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: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -103.496897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.496897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.496897 (E_RNA)
where:
Base-Base interactions energy: -45.224
where: short stacking energy: -22.958
Base-Backbone interact. energy: -0.042
local terms energy: -58.230817
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -146.408218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.408218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.408218 (E_RNA)
where:
Base-Base interactions energy: -83.787
where: short stacking energy: -39.846
Base-Backbone interact. energy: -0.408
local terms energy: -62.213345
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -6.089
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: 7, replica: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -84.662084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.662084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.662084 (E_RNA)
where:
Base-Base interactions energy: -32.168
where: short stacking energy: -32.168
Base-Backbone interact. energy: -0.100
local terms energy: -52.394182
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -84.813196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.813196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.813196 (E_RNA)
where:
Base-Base interactions energy: -27.602
where: short stacking energy: -27.602
Base-Backbone interact. energy: -0.005
local terms energy: -57.206411
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -7.896
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: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -72.464607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.464607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.464607 (E_RNA)
where:
Base-Base interactions energy: -25.319
where: short stacking energy: -21.571
Base-Backbone interact. energy: -0.131
local terms energy: -47.015176
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -7.304
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: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -68.452505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.452505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.452505 (E_RNA)
where:
Base-Base interactions energy: -19.040
where: short stacking energy: -19.040
Base-Backbone interact. energy: 0.058
local terms energy: -49.471039
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -9.083
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -221.278812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.278812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.278812 (E_RNA)
where:
Base-Base interactions energy: -146.823
where: short stacking energy: -64.233
Base-Backbone interact. energy: -0.001
local terms energy: -74.454631
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -187.188274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.188274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.188274 (E_RNA)
where:
Base-Base interactions energy: -116.882
where: short stacking energy: -54.594
Base-Backbone interact. energy: -0.000
local terms energy: -70.306239
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -13.794
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: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -186.485333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.485333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.485333 (E_RNA)
where:
Base-Base interactions energy: -117.718
where: short stacking energy: -51.628
Base-Backbone interact. energy: -0.148
local terms energy: -68.618952
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -189.607285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.607285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.607285 (E_RNA)
where:
Base-Base interactions energy: -121.740
where: short stacking energy: -55.916
Base-Backbone interact. energy: -0.239
local terms energy: -67.628714
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -15.883
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: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -148.828298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.828298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.828298 (E_RNA)
where:
Base-Base interactions energy: -90.169
where: short stacking energy: -41.261
Base-Backbone interact. energy: -0.074
local terms energy: -58.584393
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -8.339
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: 6, replica: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -94.056308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.056308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.056308 (E_RNA)
where:
Base-Base interactions energy: -46.403
where: short stacking energy: -24.793
Base-Backbone interact. energy: 0.361
local terms energy: -48.014280
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -11.100
flat angles C4'-P-C4' energy: -7.462
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -93.968171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.968171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.968171 (E_RNA)
where:
Base-Base interactions energy: -31.957
where: short stacking energy: -31.957
Base-Backbone interact. energy: -0.551
local terms energy: -61.460330
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -9.823
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: 8, replica: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -83.291504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.291504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.291504 (E_RNA)
where:
Base-Base interactions energy: -29.342
where: short stacking energy: -29.342
Base-Backbone interact. energy: -0.245
local terms energy: -53.705031
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -7.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -89.933032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.933032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.933032 (E_RNA)
where:
Base-Base interactions energy: -39.981
where: short stacking energy: -25.082
Base-Backbone interact. energy: 2.478
local terms energy: -52.429668
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -6.455
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: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -68.940506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.940506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.940506 (E_RNA)
where:
Base-Base interactions energy: -25.629
where: short stacking energy: -22.504
Base-Backbone interact. energy: -0.916
local terms energy: -42.395173
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -3.635
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: 1, replica: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -209.486680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.486680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.486680 (E_RNA)
where:
Base-Base interactions energy: -141.651
where: short stacking energy: -66.633
Base-Backbone interact. energy: -0.053
local terms energy: -67.783235
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -196.167215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.167215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.167215 (E_RNA)
where:
Base-Base interactions energy: -127.355
where: short stacking energy: -58.420
Base-Backbone interact. energy: 0.215
local terms energy: -69.027134
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -184.982926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.982926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.982926 (E_RNA)
where:
Base-Base interactions energy: -124.474
where: short stacking energy: -57.836
Base-Backbone interact. energy: -1.751
local terms energy: -58.758034
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -195.367549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.367549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.367549 (E_RNA)
where:
Base-Base interactions energy: -128.342
where: short stacking energy: -54.139
Base-Backbone interact. energy: -0.094
local terms energy: -66.932267
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -169.021220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.021220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.021220 (E_RNA)
where:
Base-Base interactions energy: -108.346
where: short stacking energy: -50.740
Base-Backbone interact. energy: -0.001
local terms energy: -60.674547
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -14.203
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: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -90.997622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.997622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.997622 (E_RNA)
where:
Base-Base interactions energy: -34.848
where: short stacking energy: -34.848
Base-Backbone interact. energy: -0.025
local terms energy: -56.124961
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -9.259
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: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -91.519354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.519354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.519354 (E_RNA)
where:
Base-Base interactions energy: -38.357
where: short stacking energy: -31.897
Base-Backbone interact. energy: -0.578
local terms energy: -52.583877
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -91.247556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.247556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.247556 (E_RNA)
where:
Base-Base interactions energy: -52.589
where: short stacking energy: -25.500
Base-Backbone interact. energy: 1.491
local terms energy: -40.149532
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -5.260
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: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -69.480871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.480871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.480871 (E_RNA)
where:
Base-Base interactions energy: -29.270
where: short stacking energy: -29.262
Base-Backbone interact. energy: -0.671
local terms energy: -39.539396
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -95.727086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.727086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.727086 (E_RNA)
where:
Base-Base interactions energy: -41.496
where: short stacking energy: -30.085
Base-Backbone interact. energy: -0.061
local terms energy: -54.170022
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -209.733582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.733582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.733582 (E_RNA)
where:
Base-Base interactions energy: -134.849
where: short stacking energy: -59.923
Base-Backbone interact. energy: -0.002
local terms energy: -74.883087
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -198.639265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.639265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.639265 (E_RNA)
where:
Base-Base interactions energy: -135.622
where: short stacking energy: -58.467
Base-Backbone interact. energy: -0.718
local terms energy: -62.299729
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -187.166944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.166944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.166944 (E_RNA)
where:
Base-Base interactions energy: -129.269
where: short stacking energy: -57.750
Base-Backbone interact. energy: -0.241
local terms energy: -57.656683
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -190.597885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.597885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.597885 (E_RNA)
where:
Base-Base interactions energy: -122.983
where: short stacking energy: -60.573
Base-Backbone interact. energy: 0.609
local terms energy: -68.223619
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -168.720880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.720880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.720880 (E_RNA)
where:
Base-Base interactions energy: -102.041
where: short stacking energy: -41.172
Base-Backbone interact. energy: -0.474
local terms energy: -66.205331
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -12.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -106.357690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.357690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.357690 (E_RNA)
where:
Base-Base interactions energy: -53.671
where: short stacking energy: -21.654
Base-Backbone interact. energy: -0.010
local terms energy: -52.676570
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -108.306740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.306740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.306740 (E_RNA)
where:
Base-Base interactions energy: -65.410
where: short stacking energy: -32.192
Base-Backbone interact. energy: -0.283
local terms energy: -42.613391
where:
bonds (distance) C4'-P energy: -7.003
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -79.002869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.002869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.002869 (E_RNA)
where:
Base-Base interactions energy: -28.751
where: short stacking energy: -28.466
Base-Backbone interact. energy: -0.009
local terms energy: -50.242270
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -3.204
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: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -69.003791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.003791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.003791 (E_RNA)
where:
Base-Base interactions energy: -35.403
where: short stacking energy: -28.330
Base-Backbone interact. energy: -0.291
local terms energy: -33.309011
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: 6.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -66.156812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.156812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.156812 (E_RNA)
where:
Base-Base interactions energy: -28.066
where: short stacking energy: -27.638
Base-Backbone interact. energy: -0.148
local terms energy: -37.942443
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -8.893
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: 1.221
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: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -210.090540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.090540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.090540 (E_RNA)
where:
Base-Base interactions energy: -134.590
where: short stacking energy: -67.263
Base-Backbone interact. energy: -0.790
local terms energy: -74.710235
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -20.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -199.453153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.453153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.453153 (E_RNA)
where:
Base-Base interactions energy: -128.031
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.001
local terms energy: -71.420242
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -204.857355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.857355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.857355 (E_RNA)
where:
Base-Base interactions energy: -141.802
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.040
local terms energy: -63.015137
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -18.669
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: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -209.016214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.016214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.016214 (E_RNA)
where:
Base-Base interactions energy: -137.965
where: short stacking energy: -64.031
Base-Backbone interact. energy: -0.002
local terms energy: -71.048870
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -3.914
tors. eta vs tors. theta energy: -22.004
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: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -161.704683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.704683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.704683 (E_RNA)
where:
Base-Base interactions energy: -97.863
where: short stacking energy: -40.283
Base-Backbone interact. energy: -0.101
local terms energy: -63.740622
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -124.179655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.179655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.179655 (E_RNA)
where:
Base-Base interactions energy: -65.598
where: short stacking energy: -37.280
Base-Backbone interact. energy: -0.548
local terms energy: -58.033605
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -9.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -109.345621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.345621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.345621 (E_RNA)
where:
Base-Base interactions energy: -54.929
where: short stacking energy: -23.409
Base-Backbone interact. energy: -0.239
local terms energy: -54.177409
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -87.849335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.849335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.849335 (E_RNA)
where:
Base-Base interactions energy: -34.517
where: short stacking energy: -34.517
Base-Backbone interact. energy: -0.038
local terms energy: -53.294236
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -72.124036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.124036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.124036 (E_RNA)
where:
Base-Base interactions energy: -21.048
where: short stacking energy: -21.348
Base-Backbone interact. energy: -0.139
local terms energy: -50.937918
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -9.180
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -5.001
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: 459
Temperature: 1.350000
Total energy: -65.743079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.743079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.743079 (E_RNA)
where:
Base-Base interactions energy: -26.451
where: short stacking energy: -15.394
Base-Backbone interact. energy: -0.203
local terms energy: -39.089254
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -9.453
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -7.956
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: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -203.991369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.991369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.991369 (E_RNA)
where:
Base-Base interactions energy: -138.607
where: short stacking energy: -60.027
Base-Backbone interact. energy: -0.142
local terms energy: -65.242158
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -18.002
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: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -189.953051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.953051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.953051 (E_RNA)
where:
Base-Base interactions energy: -124.710
where: short stacking energy: -48.262
Base-Backbone interact. energy: 0.134
local terms energy: -65.377457
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -196.092388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.092388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.092388 (E_RNA)
where:
Base-Base interactions energy: -122.735
where: short stacking energy: -57.664
Base-Backbone interact. energy: -0.144
local terms energy: -73.213999
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -197.652813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.652813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.652813 (E_RNA)
where:
Base-Base interactions energy: -125.281
where: short stacking energy: -49.125
Base-Backbone interact. energy: -0.185
local terms energy: -72.187225
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -165.946433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.946433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.946433 (E_RNA)
where:
Base-Base interactions energy: -97.312
where: short stacking energy: -41.191
Base-Backbone interact. energy: -0.000
local terms energy: -68.633883
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -152.326533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.326533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.326533 (E_RNA)
where:
Base-Base interactions energy: -95.120
where: short stacking energy: -37.104
Base-Backbone interact. energy: -0.014
local terms energy: -57.192692
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -80.983626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.983626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.983626 (E_RNA)
where:
Base-Base interactions energy: -40.153
where: short stacking energy: -34.123
Base-Backbone interact. energy: -0.573
local terms energy: -40.257742
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -7.330
flat angles P-C4'-P energy: -9.233
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: 8, replica: 2
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -97.433462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.433462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.433462 (E_RNA)
where:
Base-Base interactions energy: -47.767
where: short stacking energy: -24.419
Base-Backbone interact. energy: -0.975
local terms energy: -48.692038
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -77.100535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.100535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.100535 (E_RNA)
where:
Base-Base interactions energy: -33.806
where: short stacking energy: -33.806
Base-Backbone interact. energy: 0.353
local terms energy: -43.646738
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -6.034
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: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -68.609657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.609657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.609657 (E_RNA)
where:
Base-Base interactions energy: -25.128
where: short stacking energy: -20.347
Base-Backbone interact. energy: 0.502
local terms energy: -43.984206
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -206.362508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.362508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.362508 (E_RNA)
where:
Base-Base interactions energy: -134.152
where: short stacking energy: -58.435
Base-Backbone interact. energy: -0.000
local terms energy: -72.210118
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -197.506000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.506000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.506000 (E_RNA)
where:
Base-Base interactions energy: -125.710
where: short stacking energy: -58.730
Base-Backbone interact. energy: -0.003
local terms energy: -71.793715
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -19.574
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: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -188.245847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.245847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.245847 (E_RNA)
where:
Base-Base interactions energy: -119.500
where: short stacking energy: -47.931
Base-Backbone interact. energy: -0.303
local terms energy: -68.442674
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -179.810040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.810040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.810040 (E_RNA)
where:
Base-Base interactions energy: -109.910
where: short stacking energy: -51.737
Base-Backbone interact. energy: -0.121
local terms energy: -69.778771
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -191.400048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.400048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.400048 (E_RNA)
where:
Base-Base interactions energy: -119.526
where: short stacking energy: -56.055
Base-Backbone interact. energy: -0.084
local terms energy: -71.789694
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -156.338178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.338178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.338178 (E_RNA)
where:
Base-Base interactions energy: -94.517
where: short stacking energy: -51.191
Base-Backbone interact. energy: -0.005
local terms energy: -61.815967
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -76.034946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.034946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.034946 (E_RNA)
where:
Base-Base interactions energy: -26.796
where: short stacking energy: -23.675
Base-Backbone interact. energy: 0.350
local terms energy: -49.589059
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -5.411
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: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -88.141951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.141951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.141951 (E_RNA)
where:
Base-Base interactions energy: -30.126
where: short stacking energy: -27.565
Base-Backbone interact. energy: -0.020
local terms energy: -57.995389
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -7.684
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: 9, replica: 2
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -95.449768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.449768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.449768 (E_RNA)
where:
Base-Base interactions energy: -51.396
where: short stacking energy: -26.414
Base-Backbone interact. energy: -0.702
local terms energy: -43.352279
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -9.670
flat angles C4'-P-C4' energy: -10.334
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -70.189734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.189734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.189734 (E_RNA)
where:
Base-Base interactions energy: -26.640
where: short stacking energy: -26.640
Base-Backbone interact. energy: -0.007
local terms energy: -43.542598
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -3.564
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -207.028146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.028146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.028146 (E_RNA)
where:
Base-Base interactions energy: -136.372
where: short stacking energy: -63.948
Base-Backbone interact. energy: 0.475
local terms energy: -71.130737
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -202.799260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.799260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.799260 (E_RNA)
where:
Base-Base interactions energy: -126.922
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.100
local terms energy: -75.776440
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -19.711
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: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -180.998793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.998793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.998793 (E_RNA)
where:
Base-Base interactions energy: -113.663
where: short stacking energy: -54.946
Base-Backbone interact. energy: -0.270
local terms energy: -67.065556
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -179.292133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.292133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.292133 (E_RNA)
where:
Base-Base interactions energy: -115.058
where: short stacking energy: -54.684
Base-Backbone interact. energy: -0.224
local terms energy: -64.009983
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -9.623
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -14.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -194.718779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.718779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.718779 (E_RNA)
where:
Base-Base interactions energy: -119.101
where: short stacking energy: -52.801
Base-Backbone interact. energy: -0.046
local terms energy: -75.571481
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -19.113
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: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -145.232616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.232616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.232616 (E_RNA)
where:
Base-Base interactions energy: -83.470
where: short stacking energy: -30.767
Base-Backbone interact. energy: 0.699
local terms energy: -62.461621
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -87.026213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.026213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.026213 (E_RNA)
where:
Base-Base interactions energy: -39.418
where: short stacking energy: -29.545
Base-Backbone interact. energy: -0.302
local terms energy: -47.306283
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -6.580
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -95.920578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.920578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.920578 (E_RNA)
where:
Base-Base interactions energy: -47.253
where: short stacking energy: -44.464
Base-Backbone interact. energy: -0.005
local terms energy: -48.662950
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -81.808951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.808951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.808951 (E_RNA)
where:
Base-Base interactions energy: -42.940
where: short stacking energy: -36.308
Base-Backbone interact. energy: 1.130
local terms energy: -39.999076
where:
bonds (distance) C4'-P energy: -1.708
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -6.933
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: 10, replica: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -77.336978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.336978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.336978 (E_RNA)
where:
Base-Base interactions energy: -29.236
where: short stacking energy: -22.843
Base-Backbone interact. energy: -1.352
local terms energy: -46.749059
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -204.428958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.428958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.428958 (E_RNA)
where:
Base-Base interactions energy: -132.279
where: short stacking energy: -62.506
Base-Backbone interact. energy: -0.000
local terms energy: -72.149593
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -191.769082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.769082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.769082 (E_RNA)
where:
Base-Base interactions energy: -124.236
where: short stacking energy: -50.354
Base-Backbone interact. energy: -0.015
local terms energy: -67.518692
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -190.063951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.063951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.063951 (E_RNA)
where:
Base-Base interactions energy: -125.204
where: short stacking energy: -54.561
Base-Backbone interact. energy: -0.065
local terms energy: -64.795063
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -16.659
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: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -192.639667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.639667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.639667 (E_RNA)
where:
Base-Base interactions energy: -123.032
where: short stacking energy: -54.972
Base-Backbone interact. energy: -0.292
local terms energy: -69.315741
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -20.127
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: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -181.263629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.263629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.263629 (E_RNA)
where:
Base-Base interactions energy: -116.816
where: short stacking energy: -52.457
Base-Backbone interact. energy: -0.010
local terms energy: -64.436657
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -113.046947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.046947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.046947 (E_RNA)
where:
Base-Base interactions energy: -51.897
where: short stacking energy: -45.093
Base-Backbone interact. energy: -2.480
local terms energy: -58.669940
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -127.634925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.634925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.634925 (E_RNA)
where:
Base-Base interactions energy: -72.908
where: short stacking energy: -33.536
Base-Backbone interact. energy: 1.291
local terms energy: -56.017435
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -9.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -80.428270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.428270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.428270 (E_RNA)
where:
Base-Base interactions energy: -36.880
where: short stacking energy: -36.879
Base-Backbone interact. energy: 1.045
local terms energy: -44.593546
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -9.684
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: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -78.103979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.103979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.103979 (E_RNA)
where:
Base-Base interactions energy: -28.408
where: short stacking energy: -28.408
Base-Backbone interact. energy: -0.213
local terms energy: -49.483553
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -9.194
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: 10, replica: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -81.063389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.063389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.063389 (E_RNA)
where:
Base-Base interactions energy: -29.959
where: short stacking energy: -27.548
Base-Backbone interact. energy: -0.287
local terms energy: -50.817376
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -195.000442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.000442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.000442 (E_RNA)
where:
Base-Base interactions energy: -124.746
where: short stacking energy: -63.019
Base-Backbone interact. energy: -0.294
local terms energy: -69.960343
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -205.532471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.532471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.532471 (E_RNA)
where:
Base-Base interactions energy: -132.662
where: short stacking energy: -56.936
Base-Backbone interact. energy: -0.001
local terms energy: -72.869311
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -207.233855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.233855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.233855 (E_RNA)
where:
Base-Base interactions energy: -131.398
where: short stacking energy: -54.745
Base-Backbone interact. energy: -0.000
local terms energy: -75.835255
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -196.562666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.562666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.562666 (E_RNA)
where:
Base-Base interactions energy: -125.994
where: short stacking energy: -66.406
Base-Backbone interact. energy: -0.001
local terms energy: -70.567061
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -193.111123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.111123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.111123 (E_RNA)
where:
Base-Base interactions energy: -133.569
where: short stacking energy: -58.820
Base-Backbone interact. energy: -0.002
local terms energy: -59.539845
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -17.776
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: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -79.999065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.999065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.999065 (E_RNA)
where:
Base-Base interactions energy: -33.321
where: short stacking energy: -21.648
Base-Backbone interact. energy: -0.184
local terms energy: -46.494362
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -11.283
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: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -118.921759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.921759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.921759 (E_RNA)
where:
Base-Base interactions energy: -63.648
where: short stacking energy: -35.276
Base-Backbone interact. energy: 0.168
local terms energy: -55.441588
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -2.756
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: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -81.488568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.488568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.488568 (E_RNA)
where:
Base-Base interactions energy: -33.295
where: short stacking energy: -31.392
Base-Backbone interact. energy: 0.049
local terms energy: -48.243409
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -4.277
tors. eta vs tors. theta energy: -7.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -80.215508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.215508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.215508 (E_RNA)
where:
Base-Base interactions energy: -31.897
where: short stacking energy: -21.030
Base-Backbone interact. energy: 0.923
local terms energy: -49.242148
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -8.920
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: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -73.737448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.737448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.737448 (E_RNA)
where:
Base-Base interactions energy: -33.211
where: short stacking energy: -30.156
Base-Backbone interact. energy: -0.295
local terms energy: -40.231168
where:
bonds (distance) C4'-P energy: -6.182
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -6.532
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: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -192.082106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.082106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.082106 (E_RNA)
where:
Base-Base interactions energy: -119.572
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.001
local terms energy: -72.508478
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -212.552848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.552848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.552848 (E_RNA)
where:
Base-Base interactions energy: -141.503
where: short stacking energy: -64.679
Base-Backbone interact. energy: -0.006
local terms energy: -71.043720
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -204.106886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.106886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.106886 (E_RNA)
where:
Base-Base interactions energy: -133.920
where: short stacking energy: -61.641
Base-Backbone interact. energy: -0.000
local terms energy: -70.186140
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -17.550
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: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -186.202522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.202522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.202522 (E_RNA)
where:
Base-Base interactions energy: -123.859
where: short stacking energy: -52.599
Base-Backbone interact. energy: -0.036
local terms energy: -62.307486
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -8.356
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -187.227420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.227420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.227420 (E_RNA)
where:
Base-Base interactions energy: -126.160
where: short stacking energy: -56.748
Base-Backbone interact. energy: -0.074
local terms energy: -60.993019
where:
bonds (distance) C4'-P energy: -8.229
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -14.783
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: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -97.614415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.614415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.614415 (E_RNA)
where:
Base-Base interactions energy: -46.083
where: short stacking energy: -37.335
Base-Backbone interact. energy: -0.090
local terms energy: -51.442054
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -7.651
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: 7, replica: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -84.676207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.676207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.676207 (E_RNA)
where:
Base-Base interactions energy: -33.918
where: short stacking energy: -17.697
Base-Backbone interact. energy: -0.397
local terms energy: -50.361137
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -8.947
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: 8, replica: 2
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -83.708067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.708067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.708067 (E_RNA)
where:
Base-Base interactions energy: -32.516
where: short stacking energy: -29.035
Base-Backbone interact. energy: -0.203
local terms energy: -50.988922
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: 0.603
tors. eta vs tors. theta energy: -7.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -81.787804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.787804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.787804 (E_RNA)
where:
Base-Base interactions energy: -36.513
where: short stacking energy: -32.676
Base-Backbone interact. energy: -0.104
local terms energy: -45.170750
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -8.558
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -70.538358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.538358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.538358 (E_RNA)
where:
Base-Base interactions energy: -23.013
where: short stacking energy: -22.933
Base-Backbone interact. energy: -0.184
local terms energy: -47.341886
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -3.689
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: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -208.010811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.010811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.010811 (E_RNA)
where:
Base-Base interactions energy: -135.969
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.069
local terms energy: -71.972408
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -183.438791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.438791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.438791 (E_RNA)
where:
Base-Base interactions energy: -113.809
where: short stacking energy: -46.371
Base-Backbone interact. energy: -1.078
local terms energy: -68.552436
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.729
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: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -193.346249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.346249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.346249 (E_RNA)
where:
Base-Base interactions energy: -128.012
where: short stacking energy: -56.168
Base-Backbone interact. energy: -0.583
local terms energy: -64.751130
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -15.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -195.367362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.367362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.367362 (E_RNA)
where:
Base-Base interactions energy: -131.339
where: short stacking energy: -51.242
Base-Backbone interact. energy: 0.537
local terms energy: -64.565410
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -11.956
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: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -146.230605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.230605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.230605 (E_RNA)
where:
Base-Base interactions energy: -80.861
where: short stacking energy: -40.554
Base-Backbone interact. energy: -0.254
local terms energy: -65.115613
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -87.217449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.217449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.217449 (E_RNA)
where:
Base-Base interactions energy: -42.643
where: short stacking energy: -25.216
Base-Backbone interact. energy: -0.067
local terms energy: -44.508060
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -7.796
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: 7, replica: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -86.810825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.810825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.810825 (E_RNA)
where:
Base-Base interactions energy: -36.826
where: short stacking energy: -24.657
Base-Backbone interact. energy: -0.157
local terms energy: -49.827254
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -9.362
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: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -79.603580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.603580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.603580 (E_RNA)
where:
Base-Base interactions energy: -25.203
where: short stacking energy: -16.693
Base-Backbone interact. energy: -0.091
local terms energy: -54.309604
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -71.319666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.319666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.319666 (E_RNA)
where:
Base-Base interactions energy: -24.776
where: short stacking energy: -24.776
Base-Backbone interact. energy: 2.550
local terms energy: -49.093867
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -6.883
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: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -78.650286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.650286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.650286 (E_RNA)
where:
Base-Base interactions energy: -28.643
where: short stacking energy: -19.723
Base-Backbone interact. energy: -0.275
local terms energy: -49.731733
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -206.505804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.505804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.505804 (E_RNA)
where:
Base-Base interactions energy: -131.765
where: short stacking energy: -64.096
Base-Backbone interact. energy: -0.211
local terms energy: -74.529820
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -18.695
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: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -203.219735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.219735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.219735 (E_RNA)
where:
Base-Base interactions energy: -132.162
where: short stacking energy: -51.156
Base-Backbone interact. energy: -0.011
local terms energy: -71.046135
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -178.497095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.497095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.497095 (E_RNA)
where:
Base-Base interactions energy: -112.537
where: short stacking energy: -57.424
Base-Backbone interact. energy: -0.042
local terms energy: -65.918771
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -189.453221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.453221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.453221 (E_RNA)
where:
Base-Base interactions energy: -123.092
where: short stacking energy: -46.591
Base-Backbone interact. energy: -0.071
local terms energy: -66.289624
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -158.791408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.791408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.791408 (E_RNA)
where:
Base-Base interactions energy: -97.690
where: short stacking energy: -47.975
Base-Backbone interact. energy: 0.438
local terms energy: -61.539467
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -116.601717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.601717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.601717 (E_RNA)
where:
Base-Base interactions energy: -69.601
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.185
local terms energy: -46.815182
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -84.767666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.767666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.767666 (E_RNA)
where:
Base-Base interactions energy: -32.877
where: short stacking energy: -32.598
Base-Backbone interact. energy: 0.150
local terms energy: -52.040281
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -5.415
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: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -84.761587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.761587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.761587 (E_RNA)
where:
Base-Base interactions energy: -29.897
where: short stacking energy: -21.670
Base-Backbone interact. energy: -0.090
local terms energy: -54.774103
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -85.526472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.526472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.526472 (E_RNA)
where:
Base-Base interactions energy: -29.812
where: short stacking energy: -28.278
Base-Backbone interact. energy: -0.006
local terms energy: -55.708347
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -76.840054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.840054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.840054 (E_RNA)
where:
Base-Base interactions energy: -37.535
where: short stacking energy: -35.845
Base-Backbone interact. energy: -0.016
local terms energy: -39.288335
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -4.807
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: 1, replica: 10
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -196.162749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.162749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.162749 (E_RNA)
where:
Base-Base interactions energy: -129.348
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.001
local terms energy: -66.814284
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -204.426501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.426501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.426501 (E_RNA)
where:
Base-Base interactions energy: -137.866
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.001
local terms energy: -66.560300
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -201.120080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.120080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.120080 (E_RNA)
where:
Base-Base interactions energy: -129.051
where: short stacking energy: -57.789
Base-Backbone interact. energy: -0.004
local terms energy: -72.064872
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -18.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -168.860160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.860160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.860160 (E_RNA)
where:
Base-Base interactions energy: -100.538
where: short stacking energy: -47.977
Base-Backbone interact. energy: -0.774
local terms energy: -67.548094
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -13.521
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: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -149.880927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.880927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.880927 (E_RNA)
where:
Base-Base interactions energy: -91.989
where: short stacking energy: -44.257
Base-Backbone interact. energy: -0.519
local terms energy: -57.372247
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -11.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -94.176514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.176514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.176514 (E_RNA)
where:
Base-Base interactions energy: -36.632
where: short stacking energy: -32.296
Base-Backbone interact. energy: -0.146
local terms energy: -57.398364
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -6.664
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: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -98.623295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.623295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.623295 (E_RNA)
where:
Base-Base interactions energy: -48.961
where: short stacking energy: -34.910
Base-Backbone interact. energy: 0.839
local terms energy: -50.501450
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -86.300133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.300133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.300133 (E_RNA)
where:
Base-Base interactions energy: -33.584
where: short stacking energy: -33.584
Base-Backbone interact. energy: -0.017
local terms energy: -52.699721
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -85.509883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.509883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.509883 (E_RNA)
where:
Base-Base interactions energy: -29.446
where: short stacking energy: -29.646
Base-Backbone interact. energy: -0.015
local terms energy: -56.048905
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -7.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -77.579914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.579914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.579914 (E_RNA)
where:
Base-Base interactions energy: -33.658
where: short stacking energy: -21.834
Base-Backbone interact. energy: -0.180
local terms energy: -43.742121
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: 2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -203.949184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.949184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.949184 (E_RNA)
where:
Base-Base interactions energy: -130.143
where: short stacking energy: -60.180
Base-Backbone interact. energy: -0.041
local terms energy: -73.766112
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -196.078156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.078156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.078156 (E_RNA)
where:
Base-Base interactions energy: -122.400
where: short stacking energy: -53.272
Base-Backbone interact. energy: -0.217
local terms energy: -73.461539
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -204.847807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.847807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.847807 (E_RNA)
where:
Base-Base interactions energy: -134.916
where: short stacking energy: -57.269
Base-Backbone interact. energy: -0.098
local terms energy: -69.833405
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -163.127796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.127796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.127796 (E_RNA)
where:
Base-Base interactions energy: -97.743
where: short stacking energy: -42.434
Base-Backbone interact. energy: -0.071
local terms energy: -65.313918
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -11.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -154.365865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.365865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.365865 (E_RNA)
where:
Base-Base interactions energy: -92.728
where: short stacking energy: -42.952
Base-Backbone interact. energy: -0.025
local terms energy: -61.612976
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -7.533
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: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -104.250404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.250404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.250404 (E_RNA)
where:
Base-Base interactions energy: -48.308
where: short stacking energy: -24.229
Base-Backbone interact. energy: -0.993
local terms energy: -54.949730
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -7.912
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: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -96.252372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.252372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.252372 (E_RNA)
where:
Base-Base interactions energy: -43.988
where: short stacking energy: -34.202
Base-Backbone interact. energy: 0.073
local terms energy: -52.337594
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -4.186
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: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -87.845285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.845285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.845285 (E_RNA)
where:
Base-Base interactions energy: -30.241
where: short stacking energy: -19.084
Base-Backbone interact. energy: -0.108
local terms energy: -57.495681
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -79.229566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.229566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.229566 (E_RNA)
where:
Base-Base interactions energy: -28.181
where: short stacking energy: -18.451
Base-Backbone interact. energy: -0.610
local terms energy: -50.438062
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -9.422
flat angles P-C4'-P energy: -12.367
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: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -72.930583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.930583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.930583 (E_RNA)
where:
Base-Base interactions energy: -27.192
where: short stacking energy: -26.265
Base-Backbone interact. energy: 0.043
local terms energy: -45.781385
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -8.473
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: 1, replica: 10
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -204.824034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.824034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.824034 (E_RNA)
where:
Base-Base interactions energy: -135.507
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.406
local terms energy: -68.911528
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -202.290774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.290774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.290774 (E_RNA)
where:
Base-Base interactions energy: -131.851
where: short stacking energy: -55.658
Base-Backbone interact. energy: -0.006
local terms energy: -70.434276
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -206.146591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.146591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.146591 (E_RNA)
where:
Base-Base interactions energy: -139.497
where: short stacking energy: -61.489
Base-Backbone interact. energy: -0.001
local terms energy: -66.648345
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -19.547
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: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -186.903981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.903981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.903981 (E_RNA)
where:
Base-Base interactions energy: -120.686
where: short stacking energy: -52.632
Base-Backbone interact. energy: -0.004
local terms energy: -66.214503
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -134.489745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.489745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.489745 (E_RNA)
where:
Base-Base interactions energy: -81.843
where: short stacking energy: -41.339
Base-Backbone interact. energy: -0.148
local terms energy: -52.499339
where:
bonds (distance) C4'-P energy: -7.936
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -7.396
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: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -152.554648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.554648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.554648 (E_RNA)
where:
Base-Base interactions energy: -91.553
where: short stacking energy: -37.112
Base-Backbone interact. energy: 1.501
local terms energy: -62.502925
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -11.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -84.609439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.609439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.609439 (E_RNA)
where:
Base-Base interactions energy: -36.044
where: short stacking energy: -29.447
Base-Backbone interact. energy: 0.357
local terms energy: -48.922275
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -85.651808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.651808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.651808 (E_RNA)
where:
Base-Base interactions energy: -26.324
where: short stacking energy: -24.178
Base-Backbone interact. energy: 0.277
local terms energy: -59.604584
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -10.665
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: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -80.487456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.487456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.487456 (E_RNA)
where:
Base-Base interactions energy: -38.604
where: short stacking energy: -26.116
Base-Backbone interact. energy: -0.157
local terms energy: -41.726477
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -9.001
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: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -68.883399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.883399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.883399 (E_RNA)
where:
Base-Base interactions energy: -22.062
where: short stacking energy: -18.138
Base-Backbone interact. energy: -0.010
local terms energy: -46.811809
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -8.176
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -198.721760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.721760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.721760 (E_RNA)
where:
Base-Base interactions energy: -126.354
where: short stacking energy: -61.696
Base-Backbone interact. energy: -0.111
local terms energy: -72.256336
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -191.049957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.049957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.049957 (E_RNA)
where:
Base-Base interactions energy: -124.085
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.001
local terms energy: -66.964552
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -205.525031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.525031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.525031 (E_RNA)
where:
Base-Base interactions energy: -140.770
where: short stacking energy: -56.617
Base-Backbone interact. energy: -0.100
local terms energy: -64.655083
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -13.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -177.792159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.792159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.792159 (E_RNA)
where:
Base-Base interactions energy: -115.280
where: short stacking energy: -50.761
Base-Backbone interact. energy: -0.205
local terms energy: -62.307380
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -9.956
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: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -136.765753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.765753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.765753 (E_RNA)
where:
Base-Base interactions energy: -85.816
where: short stacking energy: -35.619
Base-Backbone interact. energy: -0.152
local terms energy: -50.797729
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -3.809
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: 6, replica: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -139.340532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.340532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.340532 (E_RNA)
where:
Base-Base interactions energy: -87.052
where: short stacking energy: -36.958
Base-Backbone interact. energy: -1.160
local terms energy: -51.129279
where:
bonds (distance) C4'-P energy: -8.077
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -113.333603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.333603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.333603 (E_RNA)
where:
Base-Base interactions energy: -51.935
where: short stacking energy: -39.511
Base-Backbone interact. energy: -0.307
local terms energy: -61.091587
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -10.595
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: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -86.893869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.893869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.893869 (E_RNA)
where:
Base-Base interactions energy: -32.340
where: short stacking energy: -20.714
Base-Backbone interact. energy: 1.528
local terms energy: -56.082158
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -9.910
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: 2
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -69.990762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.990762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.990762 (E_RNA)
where:
Base-Base interactions energy: -22.918
where: short stacking energy: -22.182
Base-Backbone interact. energy: -0.119
local terms energy: -46.953550
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -8.216
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: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -74.578581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.578581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.578581 (E_RNA)
where:
Base-Base interactions energy: -22.483
where: short stacking energy: -21.806
Base-Backbone interact. energy: 0.340
local terms energy: -52.435102
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -9.611
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: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -205.907670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.907670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.907670 (E_RNA)
where:
Base-Base interactions energy: -130.329
where: short stacking energy: -62.289
Base-Backbone interact. energy: -0.004
local terms energy: -75.574616
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -19.944
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: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -199.521150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.521150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.521150 (E_RNA)
where:
Base-Base interactions energy: -128.010
where: short stacking energy: -60.449
Base-Backbone interact. energy: -0.001
local terms energy: -71.510182
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -21.104
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: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -205.858481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.858481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.858481 (E_RNA)
where:
Base-Base interactions energy: -136.149
where: short stacking energy: -57.449
Base-Backbone interact. energy: -0.049
local terms energy: -69.660837
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -18.225
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: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -171.415943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.415943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.415943 (E_RNA)
where:
Base-Base interactions energy: -108.144
where: short stacking energy: -51.144
Base-Backbone interact. energy: -0.321
local terms energy: -62.951592
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -13.172
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: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -148.473282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.473282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.473282 (E_RNA)
where:
Base-Base interactions energy: -88.422
where: short stacking energy: -36.446
Base-Backbone interact. energy: -0.217
local terms energy: -59.833871
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -135.590265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.590265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.590265 (E_RNA)
where:
Base-Base interactions energy: -74.076
where: short stacking energy: -37.993
Base-Backbone interact. energy: -0.106
local terms energy: -61.408325
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -97.745035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.745035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.745035 (E_RNA)
where:
Base-Base interactions energy: -43.490
where: short stacking energy: -38.689
Base-Backbone interact. energy: -0.118
local terms energy: -54.137054
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -72.383748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.383748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.383748 (E_RNA)
where:
Base-Base interactions energy: -23.470
where: short stacking energy: -19.820
Base-Backbone interact. energy: -0.060
local terms energy: -48.853825
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -8.426
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: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -76.613473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.613473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.613473 (E_RNA)
where:
Base-Base interactions energy: -27.154
where: short stacking energy: -27.154
Base-Backbone interact. energy: -0.133
local terms energy: -49.326514
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -71.497231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.497231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.497231 (E_RNA)
where:
Base-Base interactions energy: -30.488
where: short stacking energy: -13.785
Base-Backbone interact. energy: -0.151
local terms energy: -40.857809
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: 2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -209.855549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.855549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.855549 (E_RNA)
where:
Base-Base interactions energy: -133.532
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.003
local terms energy: -76.320233
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -201.819358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.819358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.819358 (E_RNA)
where:
Base-Base interactions energy: -128.850
where: short stacking energy: -61.052
Base-Backbone interact. energy: -0.001
local terms energy: -72.968581
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -20.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -202.448585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.448585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.448585 (E_RNA)
where:
Base-Base interactions energy: -126.936
where: short stacking energy: -59.649
Base-Backbone interact. energy: -0.001
local terms energy: -75.511546
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -21.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -148.133602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.133602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.133602 (E_RNA)
where:
Base-Base interactions energy: -89.483
where: short stacking energy: -41.056
Base-Backbone interact. energy: -0.248
local terms energy: -58.402082
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -150.699614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.699614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.699614 (E_RNA)
where:
Base-Base interactions energy: -92.933
where: short stacking energy: -39.279
Base-Backbone interact. energy: -0.119
local terms energy: -57.646975
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -116.016153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.016153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.016153 (E_RNA)
where:
Base-Base interactions energy: -63.510
where: short stacking energy: -30.299
Base-Backbone interact. energy: -0.137
local terms energy: -52.369508
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -91.423900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.423900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.423900 (E_RNA)
where:
Base-Base interactions energy: -41.810
where: short stacking energy: -29.512
Base-Backbone interact. energy: -0.088
local terms energy: -49.525485
where:
bonds (distance) C4'-P energy: -10.089
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -77.607497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.607497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.607497 (E_RNA)
where:
Base-Base interactions energy: -29.629
where: short stacking energy: -24.976
Base-Backbone interact. energy: -0.072
local terms energy: -47.906691
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -3.881
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: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -76.698978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.698978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.698978 (E_RNA)
where:
Base-Base interactions energy: -25.894
where: short stacking energy: -23.615
Base-Backbone interact. energy: -0.169
local terms energy: -50.635608
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -1.757
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: 10, replica: 2
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -68.487108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.487108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.487108 (E_RNA)
where:
Base-Base interactions energy: -25.037
where: short stacking energy: -18.751
Base-Backbone interact. energy: -0.063
local terms energy: -43.386697
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: 2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -210.487078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.487078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.487078 (E_RNA)
where:
Base-Base interactions energy: -137.515
where: short stacking energy: -59.933
Base-Backbone interact. energy: -0.825
local terms energy: -72.146812
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -202.314127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.314127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.314127 (E_RNA)
where:
Base-Base interactions energy: -131.702
where: short stacking energy: -55.459
Base-Backbone interact. energy: -0.582
local terms energy: -70.030615
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -20.412
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: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -198.741490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.741490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.741490 (E_RNA)
where:
Base-Base interactions energy: -133.797
where: short stacking energy: -56.183
Base-Backbone interact. energy: -0.277
local terms energy: -64.667393
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -10.267
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -169.908186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.908186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.908186 (E_RNA)
where:
Base-Base interactions energy: -103.032
where: short stacking energy: -54.489
Base-Backbone interact. energy: -0.179
local terms energy: -66.696593
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -15.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -175.236761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.236761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.236761 (E_RNA)
where:
Base-Base interactions energy: -112.444
where: short stacking energy: -59.235
Base-Backbone interact. energy: -0.055
local terms energy: -62.738494
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -9.984
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -121.451005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.451005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.451005 (E_RNA)
where:
Base-Base interactions energy: -61.500
where: short stacking energy: -33.364
Base-Backbone interact. energy: -0.086
local terms energy: -59.865330
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -11.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -98.874567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.874567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.874567 (E_RNA)
where:
Base-Base interactions energy: -55.244
where: short stacking energy: -31.312
Base-Backbone interact. energy: -0.119
local terms energy: -43.510949
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -1.421
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: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -78.267265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.267265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.267265 (E_RNA)
where:
Base-Base interactions energy: -22.472
where: short stacking energy: -22.472
Base-Backbone interact. energy: -0.209
local terms energy: -55.585819
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -10.578
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: 2
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -73.607589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.607589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.607589 (E_RNA)
where:
Base-Base interactions energy: -28.686
where: short stacking energy: -28.686
Base-Backbone interact. energy: -0.053
local terms energy: -44.869031
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -80.911011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.911011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.911011 (E_RNA)
where:
Base-Base interactions energy: -33.322
where: short stacking energy: -33.322
Base-Backbone interact. energy: -0.271
local terms energy: -47.318816
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -10.215
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: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -205.187788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.187788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.187788 (E_RNA)
where:
Base-Base interactions energy: -127.939
where: short stacking energy: -59.504
Base-Backbone interact. energy: -0.177
local terms energy: -77.072036
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -205.489744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.489744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.489744 (E_RNA)
where:
Base-Base interactions energy: -134.896
where: short stacking energy: -61.207
Base-Backbone interact. energy: -0.001
local terms energy: -70.593082
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -21.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -187.085864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.085864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.085864 (E_RNA)
where:
Base-Base interactions energy: -121.730
where: short stacking energy: -56.682
Base-Backbone interact. energy: -0.031
local terms energy: -65.325262
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -177.757889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.757889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.757889 (E_RNA)
where:
Base-Base interactions energy: -111.246
where: short stacking energy: -52.734
Base-Backbone interact. energy: -0.191
local terms energy: -66.320821
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -181.931570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.931570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.931570 (E_RNA)
where:
Base-Base interactions energy: -122.030
where: short stacking energy: -57.480
Base-Backbone interact. energy: -0.003
local terms energy: -59.898483
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -9.289
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -16.194
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: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -85.545695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.545695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.545695 (E_RNA)
where:
Base-Base interactions energy: -33.641
where: short stacking energy: -28.349
Base-Backbone interact. energy: 0.816
local terms energy: -52.720589
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: 0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -93.921828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.921828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.921828 (E_RNA)
where:
Base-Base interactions energy: -33.964
where: short stacking energy: -16.976
Base-Backbone interact. energy: 1.187
local terms energy: -61.144247
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -89.358572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.358572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.358572 (E_RNA)
where:
Base-Base interactions energy: -42.387
where: short stacking energy: -30.559
Base-Backbone interact. energy: -0.042
local terms energy: -46.928850
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -7.034
flat angles C4'-P-C4' energy: -8.320
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -8.722
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: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -77.605740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.605740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.605740 (E_RNA)
where:
Base-Base interactions energy: -24.977
where: short stacking energy: -23.664
Base-Backbone interact. energy: 1.659
local terms energy: -54.287867
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -73.067264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.067264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.067264 (E_RNA)
where:
Base-Base interactions energy: -23.121
where: short stacking energy: -20.463
Base-Backbone interact. energy: -0.197
local terms energy: -49.749322
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: 0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -201.594163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.594163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.594163 (E_RNA)
where:
Base-Base interactions energy: -127.283
where: short stacking energy: -58.559
Base-Backbone interact. energy: -0.008
local terms energy: -74.302525
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -211.464298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.464298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.464298 (E_RNA)
where:
Base-Base interactions energy: -136.541
where: short stacking energy: -66.765
Base-Backbone interact. energy: 0.949
local terms energy: -75.872040
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -182.560911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.560911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.560911 (E_RNA)
where:
Base-Base interactions energy: -112.121
where: short stacking energy: -51.386
Base-Backbone interact. energy: -0.030
local terms energy: -70.410593
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -175.332877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.332877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.332877 (E_RNA)
where:
Base-Base interactions energy: -109.902
where: short stacking energy: -59.090
Base-Backbone interact. energy: -0.865
local terms energy: -64.565218
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -8.846
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -17.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -154.064003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.064003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.064003 (E_RNA)
where:
Base-Base interactions energy: -96.106
where: short stacking energy: -53.237
Base-Backbone interact. energy: -0.104
local terms energy: -57.853895
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -8.411
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -86.283565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.283565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.283565 (E_RNA)
where:
Base-Base interactions energy: -33.912
where: short stacking energy: -33.912
Base-Backbone interact. energy: -0.040
local terms energy: -52.331320
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -88.098996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.098996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.098996 (E_RNA)
where:
Base-Base interactions energy: -35.358
where: short stacking energy: -25.315
Base-Backbone interact. energy: -0.103
local terms energy: -52.637779
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -9.551
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: 8, replica: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -90.236652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.236652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.236652 (E_RNA)
where:
Base-Base interactions energy: -39.249
where: short stacking energy: -24.575
Base-Backbone interact. energy: -0.361
local terms energy: -50.626384
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -81.927685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.927685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.927685 (E_RNA)
where:
Base-Base interactions energy: -30.353
where: short stacking energy: -30.353
Base-Backbone interact. energy: -0.018
local terms energy: -51.556653
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -72.369321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.369321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.369321 (E_RNA)
where:
Base-Base interactions energy: -26.604
where: short stacking energy: -23.825
Base-Backbone interact. energy: -0.101
local terms energy: -45.663373
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -7.279
flat angles P-C4'-P energy: -10.617
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: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -203.559330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.559330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.559330 (E_RNA)
where:
Base-Base interactions energy: -131.442
where: short stacking energy: -59.483
Base-Backbone interact. energy: -0.225
local terms energy: -71.892057
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -186.416121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.416121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.416121 (E_RNA)
where:
Base-Base interactions energy: -117.380
where: short stacking energy: -55.996
Base-Backbone interact. energy: -0.002
local terms energy: -69.034803
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -19.991
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: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -191.319893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.319893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.319893 (E_RNA)
where:
Base-Base interactions energy: -119.334
where: short stacking energy: -58.794
Base-Backbone interact. energy: -0.366
local terms energy: -71.620165
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -166.667620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.667620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.667620 (E_RNA)
where:
Base-Base interactions energy: -111.039
where: short stacking energy: -55.389
Base-Backbone interact. energy: -0.099
local terms energy: -55.529471
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -152.121207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.121207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.121207 (E_RNA)
where:
Base-Base interactions energy: -91.256
where: short stacking energy: -50.318
Base-Backbone interact. energy: -0.644
local terms energy: -60.220338
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -95.568361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.568361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.568361 (E_RNA)
where:
Base-Base interactions energy: -45.377
where: short stacking energy: -36.463
Base-Backbone interact. energy: -0.119
local terms energy: -50.071608
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -82.463419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.463419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.463419 (E_RNA)
where:
Base-Base interactions energy: -33.476
where: short stacking energy: -25.754
Base-Backbone interact. energy: -0.086
local terms energy: -48.901108
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -87.442678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.442678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.442678 (E_RNA)
where:
Base-Base interactions energy: -40.787
where: short stacking energy: -18.255
Base-Backbone interact. energy: -0.358
local terms energy: -46.297536
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: 0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -82.858134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.858134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.858134 (E_RNA)
where:
Base-Base interactions energy: -27.727
where: short stacking energy: -26.919
Base-Backbone interact. energy: -0.134
local terms energy: -54.997562
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -8.314
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: 10, replica: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -67.204464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.204464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.204464 (E_RNA)
where:
Base-Base interactions energy: -17.848
where: short stacking energy: -8.226
Base-Backbone interact. energy: -0.300
local terms energy: -49.057037
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -217.491470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.491470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.491470 (E_RNA)
where:
Base-Base interactions energy: -139.458
where: short stacking energy: -62.159
Base-Backbone interact. energy: -0.506
local terms energy: -77.527930
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -195.850508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.850508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.850508 (E_RNA)
where:
Base-Base interactions energy: -125.366
where: short stacking energy: -54.504
Base-Backbone interact. energy: -0.010
local terms energy: -70.474774
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -197.854878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.854878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.854878 (E_RNA)
where:
Base-Base interactions energy: -127.884
where: short stacking energy: -63.290
Base-Backbone interact. energy: -0.080
local terms energy: -69.891274
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -20.984
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: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -164.755544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.755544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.755544 (E_RNA)
where:
Base-Base interactions energy: -102.739
where: short stacking energy: -46.767
Base-Backbone interact. energy: -0.091
local terms energy: -61.924588
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -138.858143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.858143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.858143 (E_RNA)
where:
Base-Base interactions energy: -88.204
where: short stacking energy: -44.000
Base-Backbone interact. energy: -0.156
local terms energy: -50.498043
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -9.113
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: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -96.287241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.287241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.287241 (E_RNA)
where:
Base-Base interactions energy: -33.264
where: short stacking energy: -31.563
Base-Backbone interact. energy: -0.169
local terms energy: -62.854467
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -87.406381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.406381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.406381 (E_RNA)
where:
Base-Base interactions energy: -43.142
where: short stacking energy: -43.142
Base-Backbone interact. energy: -0.187
local terms energy: -44.076891
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -5.844
flat angles P-C4'-P energy: -9.779
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: 8, replica: 9
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -85.199642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.199642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.199642 (E_RNA)
where:
Base-Base interactions energy: -40.824
where: short stacking energy: -30.286
Base-Backbone interact. energy: 3.806
local terms energy: -48.182120
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -88.157067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.157067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.157067 (E_RNA)
where:
Base-Base interactions energy: -30.167
where: short stacking energy: -28.086
Base-Backbone interact. energy: -0.146
local terms energy: -57.844084
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -9.497
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: 10, replica: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -76.456216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.456216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.456216 (E_RNA)
where:
Base-Base interactions energy: -34.001
where: short stacking energy: -19.645
Base-Backbone interact. energy: -0.207
local terms energy: -42.248684
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -198.949019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.949019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.949019 (E_RNA)
where:
Base-Base interactions energy: -123.490
where: short stacking energy: -59.262
Base-Backbone interact. energy: 0.012
local terms energy: -75.470689
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -19.881
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: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -203.726274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.726274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.726274 (E_RNA)
where:
Base-Base interactions energy: -130.508
where: short stacking energy: -60.414
Base-Backbone interact. energy: -0.101
local terms energy: -73.117118
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -20.859
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: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -191.660598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.660598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.660598 (E_RNA)
where:
Base-Base interactions energy: -120.071
where: short stacking energy: -51.431
Base-Backbone interact. energy: -0.007
local terms energy: -71.582534
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -16.929
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: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -166.236349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.236349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.236349 (E_RNA)
where:
Base-Base interactions energy: -103.597
where: short stacking energy: -45.107
Base-Backbone interact. energy: -0.237
local terms energy: -62.402564
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -140.877059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.877059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.877059 (E_RNA)
where:
Base-Base interactions energy: -87.472
where: short stacking energy: -39.913
Base-Backbone interact. energy: -0.301
local terms energy: -53.103567
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -93.818820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.818820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.818820 (E_RNA)
where:
Base-Base interactions energy: -33.707
where: short stacking energy: -33.707
Base-Backbone interact. energy: -0.279
local terms energy: -59.832109
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -7.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -88.188135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.188135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.188135 (E_RNA)
where:
Base-Base interactions energy: -42.673
where: short stacking energy: -28.657
Base-Backbone interact. energy: -0.506
local terms energy: -45.009306
where:
bonds (distance) C4'-P energy: -8.673
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -9.958
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: 8, replica: 2
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -83.191860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.191860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.191860 (E_RNA)
where:
Base-Base interactions energy: -35.968
where: short stacking energy: -33.059
Base-Backbone interact. energy: -0.161
local terms energy: -47.062958
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -77.391633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.391633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.391633 (E_RNA)
where:
Base-Base interactions energy: -31.387
where: short stacking energy: -28.323
Base-Backbone interact. energy: -0.092
local terms energy: -45.911814
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -0.120
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: 10, replica: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -72.563531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.563531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.563531 (E_RNA)
where:
Base-Base interactions energy: -31.437
where: short stacking energy: -20.283
Base-Backbone interact. energy: 0.130
local terms energy: -41.256806
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -6.039
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: 1, replica: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -211.534883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.534883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.534883 (E_RNA)
where:
Base-Base interactions energy: -136.973
where: short stacking energy: -62.583
Base-Backbone interact. energy: -0.002
local terms energy: -74.560327
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -21.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -202.898519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.898519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.898519 (E_RNA)
where:
Base-Base interactions energy: -131.200
where: short stacking energy: -56.094
Base-Backbone interact. energy: -0.064
local terms energy: -71.634548
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -17.428
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: 3, replica: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -196.710209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.710209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.710209 (E_RNA)
where:
Base-Base interactions energy: -141.029
where: short stacking energy: -60.719
Base-Backbone interact. energy: 1.177
local terms energy: -56.857861
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -8.931
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -166.904295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.904295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.904295 (E_RNA)
where:
Base-Base interactions energy: -107.024
where: short stacking energy: -46.105
Base-Backbone interact. energy: -0.155
local terms energy: -59.726258
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -135.801266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.801266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.801266 (E_RNA)
where:
Base-Base interactions energy: -72.798
where: short stacking energy: -36.468
Base-Backbone interact. energy: -0.113
local terms energy: -62.890223
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -10.712
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: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -137.027031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.027031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.027031 (E_RNA)
where:
Base-Base interactions energy: -78.281
where: short stacking energy: -47.287
Base-Backbone interact. energy: -0.982
local terms energy: -57.763993
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -2.729
tors. eta vs tors. theta energy: -15.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -90.686484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.686484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.686484 (E_RNA)
where:
Base-Base interactions energy: -31.638
where: short stacking energy: -30.332
Base-Backbone interact. energy: -0.015
local terms energy: -59.033784
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -77.017113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.017113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.017113 (E_RNA)
where:
Base-Base interactions energy: -34.559
where: short stacking energy: -29.540
Base-Backbone interact. energy: -0.196
local terms energy: -42.262854
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -77.486038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.486038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.486038 (E_RNA)
where:
Base-Base interactions energy: -33.355
where: short stacking energy: -22.902
Base-Backbone interact. energy: -0.357
local terms energy: -43.774201
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -0.340
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: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -79.767020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.767020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.767020 (E_RNA)
where:
Base-Base interactions energy: -33.729
where: short stacking energy: -21.434
Base-Backbone interact. energy: 0.678
local terms energy: -46.715747
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -8.931
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: 1, replica: 10
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -203.948536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.948536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.948536 (E_RNA)
where:
Base-Base interactions energy: -136.724
where: short stacking energy: -56.942
Base-Backbone interact. energy: -0.761
local terms energy: -66.464092
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -19.710
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: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -196.235371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.235371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.235371 (E_RNA)
where:
Base-Base interactions energy: -131.926
where: short stacking energy: -63.683
Base-Backbone interact. energy: -0.002
local terms energy: -64.307650
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -14.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -209.259899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.259899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.259899 (E_RNA)
where:
Base-Base interactions energy: -134.865
where: short stacking energy: -59.496
Base-Backbone interact. energy: -1.022
local terms energy: -73.373168
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -17.438
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: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -164.083167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.083167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.083167 (E_RNA)
where:
Base-Base interactions energy: -100.734
where: short stacking energy: -50.888
Base-Backbone interact. energy: -0.127
local terms energy: -63.222190
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -112.625082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.625082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.625082 (E_RNA)
where:
Base-Base interactions energy: -61.182
where: short stacking energy: -28.419
Base-Backbone interact. energy: -0.530
local terms energy: -50.912836
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -7.414
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: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -113.608193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.608193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.608193 (E_RNA)
where:
Base-Base interactions energy: -66.708
where: short stacking energy: -36.157
Base-Backbone interact. energy: -0.480
local terms energy: -46.420526
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -8.139
flat angles P-C4'-P energy: -6.381
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: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -124.514339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.514339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.514339 (E_RNA)
where:
Base-Base interactions energy: -63.391
where: short stacking energy: -35.871
Base-Backbone interact. energy: -0.092
local terms energy: -61.030904
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -77.686268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.686268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.686268 (E_RNA)
where:
Base-Base interactions energy: -25.430
where: short stacking energy: -25.430
Base-Backbone interact. energy: -0.038
local terms energy: -52.218584
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -8.402
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: 9, replica: 2
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -73.665133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.665133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.665133 (E_RNA)
where:
Base-Base interactions energy: -31.367
where: short stacking energy: -31.367
Base-Backbone interact. energy: -0.045
local terms energy: -42.252919
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -2.335
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: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -74.510233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.510233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.510233 (E_RNA)
where:
Base-Base interactions energy: -32.928
where: short stacking energy: -20.332
Base-Backbone interact. energy: -0.394
local terms energy: -41.189010
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -8.152
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: 0.508
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: 482
Temperature: 0.900000
Total energy: -208.399171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.399171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.399171 (E_RNA)
where:
Base-Base interactions energy: -127.162
where: short stacking energy: -55.272
Base-Backbone interact. energy: -0.587
local terms energy: -80.650330
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -18.434
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: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -205.229748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.229748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.229748 (E_RNA)
where:
Base-Base interactions energy: -128.275
where: short stacking energy: -59.111
Base-Backbone interact. energy: 0.513
local terms energy: -77.467491
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -171.445269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.445269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.445269 (E_RNA)
where:
Base-Base interactions energy: -105.380
where: short stacking energy: -50.131
Base-Backbone interact. energy: 0.025
local terms energy: -66.089880
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -18.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -194.382578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.382578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.382578 (E_RNA)
where:
Base-Base interactions energy: -132.570
where: short stacking energy: -59.734
Base-Backbone interact. energy: 1.396
local terms energy: -63.208266
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -15.367
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: 5, replica: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -124.138786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.138786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.138786 (E_RNA)
where:
Base-Base interactions energy: -73.563
where: short stacking energy: -33.438
Base-Backbone interact. energy: 0.030
local terms energy: -50.605702
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -7.455
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: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -131.350284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.350284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.350284 (E_RNA)
where:
Base-Base interactions energy: -75.936
where: short stacking energy: -35.513
Base-Backbone interact. energy: -0.119
local terms energy: -55.295503
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -81.220288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.220288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.220288 (E_RNA)
where:
Base-Base interactions energy: -34.900
where: short stacking energy: -29.774
Base-Backbone interact. energy: -0.024
local terms energy: -46.296313
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -84.253313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.253313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.253313 (E_RNA)
where:
Base-Base interactions energy: -37.170
where: short stacking energy: -31.955
Base-Backbone interact. energy: -0.071
local terms energy: -47.012062
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -0.609
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: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -80.006761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.006761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.006761 (E_RNA)
where:
Base-Base interactions energy: -48.085
where: short stacking energy: -30.722
Base-Backbone interact. energy: -0.068
local terms energy: -31.853067
where:
bonds (distance) C4'-P energy: -5.003
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -86.995668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.995668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.995668 (E_RNA)
where:
Base-Base interactions energy: -40.330
where: short stacking energy: -25.805
Base-Backbone interact. energy: -0.334
local terms energy: -46.331894
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -7.306
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: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -200.217242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.217242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.217242 (E_RNA)
where:
Base-Base interactions energy: -131.259
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.010
local terms energy: -68.947911
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -17.039
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: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -203.956667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.956667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.956667 (E_RNA)
where:
Base-Base interactions energy: -130.262
where: short stacking energy: -54.719
Base-Backbone interact. energy: -0.004
local terms energy: -73.690218
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -179.516884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.516884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.516884 (E_RNA)
where:
Base-Base interactions energy: -110.619
where: short stacking energy: -51.169
Base-Backbone interact. energy: -0.080
local terms energy: -68.817713
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -15.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -163.861844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.861844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.861844 (E_RNA)
where:
Base-Base interactions energy: -114.736
where: short stacking energy: -47.245
Base-Backbone interact. energy: -0.014
local terms energy: -49.111675
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -5.149
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: -16.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -114.093385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.093385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.093385 (E_RNA)
where:
Base-Base interactions energy: -60.453
where: short stacking energy: -36.836
Base-Backbone interact. energy: -0.050
local terms energy: -53.590414
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -7.798
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: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -118.332652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.332652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.332652 (E_RNA)
where:
Base-Base interactions energy: -66.264
where: short stacking energy: -31.614
Base-Backbone interact. energy: -0.520
local terms energy: -51.548567
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -76.806209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.806209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.806209 (E_RNA)
where:
Base-Base interactions energy: -29.622
where: short stacking energy: -19.130
Base-Backbone interact. energy: -0.044
local terms energy: -47.140331
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: 2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -105.932724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.932724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.932724 (E_RNA)
where:
Base-Base interactions energy: -60.854
where: short stacking energy: -34.987
Base-Backbone interact. energy: -0.026
local terms energy: -45.053013
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -3.453
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: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -74.945147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.945147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.945147 (E_RNA)
where:
Base-Base interactions energy: -29.302
where: short stacking energy: -29.045
Base-Backbone interact. energy: -0.040
local terms energy: -45.602958
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -76.363606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.363606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.363606 (E_RNA)
where:
Base-Base interactions energy: -30.134
where: short stacking energy: -18.698
Base-Backbone interact. energy: -0.740
local terms energy: -45.489292
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -9.539
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: 1, replica: 10
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -211.837834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.837834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.837834 (E_RNA)
where:
Base-Base interactions energy: -142.257
where: short stacking energy: -64.376
Base-Backbone interact. energy: -0.000
local terms energy: -69.580180
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -18.507
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: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -196.845056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.845056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.845056 (E_RNA)
where:
Base-Base interactions energy: -127.972
where: short stacking energy: -55.609
Base-Backbone interact. energy: -0.502
local terms energy: -68.370737
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -170.661397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.661397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.661397 (E_RNA)
where:
Base-Base interactions energy: -106.761
where: short stacking energy: -49.144
Base-Backbone interact. energy: -0.032
local terms energy: -63.868506
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -11.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -162.449405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.449405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.449405 (E_RNA)
where:
Base-Base interactions energy: -96.108
where: short stacking energy: -50.927
Base-Backbone interact. energy: -0.025
local terms energy: -66.315595
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -10.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -117.364711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.364711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.364711 (E_RNA)
where:
Base-Base interactions energy: -65.737
where: short stacking energy: -33.510
Base-Backbone interact. energy: 0.492
local terms energy: -52.120123
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -121.682245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.682245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.682245 (E_RNA)
where:
Base-Base interactions energy: -67.974
where: short stacking energy: -40.057
Base-Backbone interact. energy: -0.005
local terms energy: -53.703312
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -6.577
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: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -92.697244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.697244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.697244 (E_RNA)
where:
Base-Base interactions energy: -43.145
where: short stacking energy: -32.899
Base-Backbone interact. energy: -0.167
local terms energy: -49.385490
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -6.336
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -79.702227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.702227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.702227 (E_RNA)
where:
Base-Base interactions energy: -37.387
where: short stacking energy: -23.375
Base-Backbone interact. energy: -0.081
local terms energy: -42.234783
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -6.682
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: 1.586
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: 9, replica: 2
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -78.912200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.912200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.912200 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -34.552
Base-Backbone interact. energy: -0.022
local terms energy: -44.338158
where:
bonds (distance) C4'-P energy: -6.036
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -4.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -74.514284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.514284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.514284 (E_RNA)
where:
Base-Base interactions energy: -35.917
where: short stacking energy: -35.917
Base-Backbone interact. energy: 0.145
local terms energy: -38.741728
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -186.745372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.745372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.745372 (E_RNA)
where:
Base-Base interactions energy: -119.220
where: short stacking energy: -54.344
Base-Backbone interact. energy: 0.280
local terms energy: -67.805839
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -176.630209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.630209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.630209 (E_RNA)
where:
Base-Base interactions energy: -110.072
where: short stacking energy: -46.895
Base-Backbone interact. energy: -0.004
local terms energy: -66.554650
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -3.022
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -196.059139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.059139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.059139 (E_RNA)
where:
Base-Base interactions energy: -132.719
where: short stacking energy: -60.148
Base-Backbone interact. energy: -0.869
local terms energy: -62.470582
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -7.420
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -17.292
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: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -168.080236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.080236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.080236 (E_RNA)
where:
Base-Base interactions energy: -102.806
where: short stacking energy: -46.865
Base-Backbone interact. energy: -0.113
local terms energy: -65.161200
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -106.441407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.441407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.441407 (E_RNA)
where:
Base-Base interactions energy: -46.891
where: short stacking energy: -36.949
Base-Backbone interact. energy: 0.961
local terms energy: -60.511376
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -7.787
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: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -88.214967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.214967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.214967 (E_RNA)
where:
Base-Base interactions energy: -35.038
where: short stacking energy: -29.360
Base-Backbone interact. energy: -0.310
local terms energy: -52.867092
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -126.190505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.190505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.190505 (E_RNA)
where:
Base-Base interactions energy: -67.828
where: short stacking energy: -28.205
Base-Backbone interact. energy: -0.194
local terms energy: -58.169161
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -84.717216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.717216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.717216 (E_RNA)
where:
Base-Base interactions energy: -34.559
where: short stacking energy: -30.022
Base-Backbone interact. energy: -0.073
local terms energy: -50.085280
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -3.897
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: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -77.708846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.708846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.708846 (E_RNA)
where:
Base-Base interactions energy: -32.525
where: short stacking energy: -27.325
Base-Backbone interact. energy: -0.854
local terms energy: -44.329397
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -5.254
flat angles P-C4'-P energy: -6.550
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: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -76.794715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.794715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.794715 (E_RNA)
where:
Base-Base interactions energy: -32.913
where: short stacking energy: -20.503
Base-Backbone interact. energy: -1.010
local terms energy: -42.872566
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -7.443
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: 486
Temperature: 0.900000
Total energy: -207.752620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.752620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.752620 (E_RNA)
where:
Base-Base interactions energy: -129.975
where: short stacking energy: -57.228
Base-Backbone interact. energy: -0.007
local terms energy: -77.770776
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -182.670595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.670595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.670595 (E_RNA)
where:
Base-Base interactions energy: -112.036
where: short stacking energy: -43.292
Base-Backbone interact. energy: -0.098
local terms energy: -70.536331
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -188.920924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.920924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.920924 (E_RNA)
where:
Base-Base interactions energy: -119.287
where: short stacking energy: -50.428
Base-Backbone interact. energy: -0.015
local terms energy: -69.618651
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -13.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -165.843110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.843110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.843110 (E_RNA)
where:
Base-Base interactions energy: -102.542
where: short stacking energy: -42.818
Base-Backbone interact. energy: -0.073
local terms energy: -63.228325
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -98.000289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.000289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.000289 (E_RNA)
where:
Base-Base interactions energy: -34.943
where: short stacking energy: -34.943
Base-Backbone interact. energy: 0.198
local terms energy: -63.255625
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -9.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -122.755916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.755916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.755916 (E_RNA)
where:
Base-Base interactions energy: -73.961
where: short stacking energy: -33.853
Base-Backbone interact. energy: -0.614
local terms energy: -48.181505
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -141.397801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.397801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.397801 (E_RNA)
where:
Base-Base interactions energy: -85.426
where: short stacking energy: -46.426
Base-Backbone interact. energy: -0.062
local terms energy: -55.909101
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -10.111
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: 486
Temperature: 1.250000
Total energy: -95.326696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.326696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.326696 (E_RNA)
where:
Base-Base interactions energy: -55.802
where: short stacking energy: -28.104
Base-Backbone interact. energy: -1.001
local terms energy: -38.524024
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -8.120
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -4.722
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: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -83.435800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.435800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.435800 (E_RNA)
where:
Base-Base interactions energy: -33.565
where: short stacking energy: -29.975
Base-Backbone interact. energy: -0.469
local terms energy: -49.401577
where:
bonds (distance) C4'-P energy: -9.430
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -3.565
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: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -75.259223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.259223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.259223 (E_RNA)
where:
Base-Base interactions energy: -26.817
where: short stacking energy: -26.398
Base-Backbone interact. energy: -0.057
local terms energy: -48.385057
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -11.341
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: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -214.258329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.258329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.258329 (E_RNA)
where:
Base-Base interactions energy: -141.352
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.049
local terms energy: -72.857191
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -206.424080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.424080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.424080 (E_RNA)
where:
Base-Base interactions energy: -138.598
where: short stacking energy: -52.477
Base-Backbone interact. energy: -0.028
local terms energy: -67.798283
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -190.523038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.523038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.523038 (E_RNA)
where:
Base-Base interactions energy: -130.405
where: short stacking energy: -56.472
Base-Backbone interact. energy: -0.107
local terms energy: -60.010973
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -8.277
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -170.970624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.970624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.970624 (E_RNA)
where:
Base-Base interactions energy: -106.087
where: short stacking energy: -45.583
Base-Backbone interact. energy: -0.098
local terms energy: -64.785083
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -13.940
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: 487
Temperature: 1.100000
Total energy: -99.661836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.661836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.661836 (E_RNA)
where:
Base-Base interactions energy: -40.250
where: short stacking energy: -39.295
Base-Backbone interact. energy: -0.156
local terms energy: -59.256096
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -127.063910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.063910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.063910 (E_RNA)
where:
Base-Base interactions energy: -67.847
where: short stacking energy: -32.587
Base-Backbone interact. energy: 0.198
local terms energy: -59.414796
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -8.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -102.892314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.892314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.892314 (E_RNA)
where:
Base-Base interactions energy: -52.442
where: short stacking energy: -26.669
Base-Backbone interact. energy: 1.052
local terms energy: -51.501972
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.829
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: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -90.788733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.788733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.788733 (E_RNA)
where:
Base-Base interactions energy: -37.336
where: short stacking energy: -30.987
Base-Backbone interact. energy: -0.285
local terms energy: -53.168006
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -8.953
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: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -83.492019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.492019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.492019 (E_RNA)
where:
Base-Base interactions energy: -33.772
where: short stacking energy: -33.772
Base-Backbone interact. energy: 0.613
local terms energy: -50.333132
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -8.036
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -4.503
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: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -75.136732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.136732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.136732 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -29.880
Base-Backbone interact. energy: -0.496
local terms energy: -44.760643
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -212.285146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.285146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.285146 (E_RNA)
where:
Base-Base interactions energy: -145.006
where: short stacking energy: -49.994
Base-Backbone interact. energy: 0.641
local terms energy: -67.920039
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -192.527040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.527040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.527040 (E_RNA)
where:
Base-Base interactions energy: -129.385
where: short stacking energy: -63.430
Base-Backbone interact. energy: -0.109
local terms energy: -63.032116
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -201.644502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.644502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.644502 (E_RNA)
where:
Base-Base interactions energy: -132.771
where: short stacking energy: -58.988
Base-Backbone interact. energy: -0.197
local terms energy: -68.676476
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -194.170077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.170077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.170077 (E_RNA)
where:
Base-Base interactions energy: -130.367
where: short stacking energy: -58.755
Base-Backbone interact. energy: -0.713
local terms energy: -63.090135
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -11.546
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: 5, replica: 8
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -152.752590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.752590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.752590 (E_RNA)
where:
Base-Base interactions energy: -93.018
where: short stacking energy: -56.077
Base-Backbone interact. energy: -0.018
local terms energy: -59.717398
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -11.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -97.547485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.547485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.547485 (E_RNA)
where:
Base-Base interactions energy: -39.531
where: short stacking energy: -38.801
Base-Backbone interact. energy: -0.007
local terms energy: -58.009811
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -8.111
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: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -93.677539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.677539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.677539 (E_RNA)
where:
Base-Base interactions energy: -42.631
where: short stacking energy: -29.270
Base-Backbone interact. energy: 0.129
local terms energy: -51.175572
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -8.329
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: 8, replica: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -78.727863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.727863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.727863 (E_RNA)
where:
Base-Base interactions energy: -31.494
where: short stacking energy: -17.335
Base-Backbone interact. energy: 1.000
local terms energy: -48.233690
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -8.783
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: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -71.859148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.859148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.859148 (E_RNA)
where:
Base-Base interactions energy: -31.054
where: short stacking energy: -30.056
Base-Backbone interact. energy: 1.033
local terms energy: -41.838705
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -7.546
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -75.351373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.351373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.351373 (E_RNA)
where:
Base-Base interactions energy: -38.756
where: short stacking energy: -15.737
Base-Backbone interact. energy: -0.362
local terms energy: -36.233075
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -8.706
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: 1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -205.860931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.860931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.860931 (E_RNA)
where:
Base-Base interactions energy: -137.953
where: short stacking energy: -44.018
Base-Backbone interact. energy: -0.813
local terms energy: -67.095320
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -10.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -215.284425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.284425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.284425 (E_RNA)
where:
Base-Base interactions energy: -136.387
where: short stacking energy: -56.448
Base-Backbone interact. energy: -0.284
local terms energy: -78.613344
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -21.852
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: 489
Temperature: 1.000000
Total energy: -200.389381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.389381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.389381 (E_RNA)
where:
Base-Base interactions energy: -130.588
where: short stacking energy: -59.617
Base-Backbone interact. energy: -0.412
local terms energy: -69.388688
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -16.112
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: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -158.075798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.075798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.075798 (E_RNA)
where:
Base-Base interactions energy: -101.678
where: short stacking energy: -52.319
Base-Backbone interact. energy: -0.002
local terms energy: -56.395392
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -3.051
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -180.413709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.413709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.413709 (E_RNA)
where:
Base-Base interactions energy: -112.222
where: short stacking energy: -50.584
Base-Backbone interact. energy: -0.004
local terms energy: -68.187748
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -16.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -91.820951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.820951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.820951 (E_RNA)
where:
Base-Base interactions energy: -38.180
where: short stacking energy: -37.789
Base-Backbone interact. energy: -0.143
local terms energy: -53.498455
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -85.619966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.619966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.619966 (E_RNA)
where:
Base-Base interactions energy: -37.514
where: short stacking energy: -21.077
Base-Backbone interact. energy: 0.739
local terms energy: -48.844708
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -7.409
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: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -80.972415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.972415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.972415 (E_RNA)
where:
Base-Base interactions energy: -31.418
where: short stacking energy: -31.418
Base-Backbone interact. energy: -0.168
local terms energy: -49.386034
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -98.335654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.335654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.335654 (E_RNA)
where:
Base-Base interactions energy: -52.797
where: short stacking energy: -21.883
Base-Backbone interact. energy: -0.464
local terms energy: -45.074538
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -8.573
flat angles P-C4'-P energy: -8.981
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: 10, replica: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -82.636338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.636338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.636338 (E_RNA)
where:
Base-Base interactions energy: -45.180
where: short stacking energy: -34.229
Base-Backbone interact. energy: -0.346
local terms energy: -37.110726
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: 3.667
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -213.914002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.914002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.914002 (E_RNA)
where:
Base-Base interactions energy: -143.913
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.011
local terms energy: -69.989978
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -17.683
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: 4
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -207.189853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.189853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.189853 (E_RNA)
where:
Base-Base interactions energy: -140.843
where: short stacking energy: -55.344
Base-Backbone interact. energy: 2.522
local terms energy: -68.868856
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -201.086047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.086047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.086047 (E_RNA)
where:
Base-Base interactions energy: -132.085
where: short stacking energy: -59.440
Base-Backbone interact. energy: -0.099
local terms energy: -68.901931
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -19.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -159.089996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.089996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.089996 (E_RNA)
where:
Base-Base interactions energy: -99.139
where: short stacking energy: -48.403
Base-Backbone interact. energy: -0.395
local terms energy: -59.556518
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -3.923
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -188.846516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.846516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.846516 (E_RNA)
where:
Base-Base interactions energy: -121.355
where: short stacking energy: -53.363
Base-Backbone interact. energy: -0.010
local terms energy: -67.481834
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -20.068
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: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -103.187392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.187392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.187392 (E_RNA)
where:
Base-Base interactions energy: -39.817
where: short stacking energy: -29.594
Base-Backbone interact. energy: -0.642
local terms energy: -62.728415
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -83.684415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.684415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.684415 (E_RNA)
where:
Base-Base interactions energy: -44.243
where: short stacking energy: -33.499
Base-Backbone interact. energy: 0.347
local terms energy: -39.788763
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -84.314543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.314543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.314543 (E_RNA)
where:
Base-Base interactions energy: -32.415
where: short stacking energy: -28.688
Base-Backbone interact. energy: -0.347
local terms energy: -51.551994
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -70.753988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.753988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.753988 (E_RNA)
where:
Base-Base interactions energy: -25.810
where: short stacking energy: -24.520
Base-Backbone interact. energy: -0.302
local terms energy: -44.642503
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -77.095944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.095944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.095944 (E_RNA)
where:
Base-Base interactions energy: -36.243
where: short stacking energy: -31.387
Base-Backbone interact. energy: -1.844
local terms energy: -39.008907
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -6.510
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -213.059554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.059554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.059554 (E_RNA)
where:
Base-Base interactions energy: -145.695
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.576
local terms energy: -66.788557
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -17.422
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: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -209.067565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.067565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.067565 (E_RNA)
where:
Base-Base interactions energy: -135.989
where: short stacking energy: -60.029
Base-Backbone interact. energy: -0.728
local terms energy: -72.350466
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -19.238
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: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -192.648973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.648973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.648973 (E_RNA)
where:
Base-Base interactions energy: -122.891
where: short stacking energy: -46.226
Base-Backbone interact. energy: -0.019
local terms energy: -69.739300
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -16.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -183.266916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.266916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.266916 (E_RNA)
where:
Base-Base interactions energy: -120.591
where: short stacking energy: -57.101
Base-Backbone interact. energy: -0.003
local terms energy: -62.673576
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -170.983064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.983064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.983064 (E_RNA)
where:
Base-Base interactions energy: -104.649
where: short stacking energy: -48.653
Base-Backbone interact. energy: -0.353
local terms energy: -65.980932
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -14.896
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: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -130.806723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.806723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.806723 (E_RNA)
where:
Base-Base interactions energy: -79.572
where: short stacking energy: -29.479
Base-Backbone interact. energy: -0.595
local terms energy: -50.639718
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -1.898
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: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -85.900487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.900487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.900487 (E_RNA)
where:
Base-Base interactions energy: -34.985
where: short stacking energy: -25.887
Base-Backbone interact. energy: -0.141
local terms energy: -50.775014
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -7.666
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: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -75.034751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.034751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.034751 (E_RNA)
where:
Base-Base interactions energy: -32.711
where: short stacking energy: -32.711
Base-Backbone interact. energy: 0.112
local terms energy: -42.435492
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -80.469064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.469064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.469064 (E_RNA)
where:
Base-Base interactions energy: -25.863
where: short stacking energy: -25.863
Base-Backbone interact. energy: -0.247
local terms energy: -54.359668
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -10.410
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: 10, replica: 2
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -74.933238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.933238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.933238 (E_RNA)
where:
Base-Base interactions energy: -24.877
where: short stacking energy: -24.023
Base-Backbone interact. energy: -0.354
local terms energy: -49.701913
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -9.456
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -214.959558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.959558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.959558 (E_RNA)
where:
Base-Base interactions energy: -139.556
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.000
local terms energy: -75.402730
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -201.118967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.118967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.118967 (E_RNA)
where:
Base-Base interactions energy: -131.475
where: short stacking energy: -54.648
Base-Backbone interact. energy: 0.803
local terms energy: -70.446510
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -203.979771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.979771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.979771 (E_RNA)
where:
Base-Base interactions energy: -135.739
where: short stacking energy: -67.082
Base-Backbone interact. energy: -0.005
local terms energy: -68.235019
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -181.554824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.554824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.554824 (E_RNA)
where:
Base-Base interactions energy: -114.409
where: short stacking energy: -48.482
Base-Backbone interact. energy: -0.252
local terms energy: -66.893116
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -15.627
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: 5, replica: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -158.745742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.745742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.745742 (E_RNA)
where:
Base-Base interactions energy: -105.684
where: short stacking energy: -47.779
Base-Backbone interact. energy: -0.120
local terms energy: -52.941464
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -8.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -111.879972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.879972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.879972 (E_RNA)
where:
Base-Base interactions energy: -69.286
where: short stacking energy: -23.702
Base-Backbone interact. energy: -0.140
local terms energy: -42.454158
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -7.635
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -93.722592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.722592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.722592 (E_RNA)
where:
Base-Base interactions energy: -41.770
where: short stacking energy: -30.446
Base-Backbone interact. energy: -0.130
local terms energy: -51.822981
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -5.933
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -90.699519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.699519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.699519 (E_RNA)
where:
Base-Base interactions energy: -32.400
where: short stacking energy: -25.137
Base-Backbone interact. energy: -0.514
local terms energy: -57.785473
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -2.651
tors. eta vs tors. theta energy: -9.122
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: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -79.506609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.506609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.506609 (E_RNA)
where:
Base-Base interactions energy: -36.291
where: short stacking energy: -25.054
Base-Backbone interact. energy: -0.396
local terms energy: -42.820162
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -8.683
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: 0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -70.065038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.065038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.065038 (E_RNA)
where:
Base-Base interactions energy: -24.508
where: short stacking energy: -24.508
Base-Backbone interact. energy: -0.275
local terms energy: -45.281685
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: 2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -209.280875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.280875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.280875 (E_RNA)
where:
Base-Base interactions energy: -137.202
where: short stacking energy: -62.176
Base-Backbone interact. energy: 0.485
local terms energy: -72.564094
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -202.112232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.112232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.112232 (E_RNA)
where:
Base-Base interactions energy: -129.332
where: short stacking energy: -57.450
Base-Backbone interact. energy: -0.091
local terms energy: -72.689663
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -198.096538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.096538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.096538 (E_RNA)
where:
Base-Base interactions energy: -131.486
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.099
local terms energy: -66.511574
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -18.161
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: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -198.160034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.160034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.160034 (E_RNA)
where:
Base-Base interactions energy: -131.616
where: short stacking energy: -48.641
Base-Backbone interact. energy: 0.348
local terms energy: -66.891433
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -153.917673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.917673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.917673 (E_RNA)
where:
Base-Base interactions energy: -101.897
where: short stacking energy: -43.527
Base-Backbone interact. energy: -0.052
local terms energy: -51.968831
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -2.216
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -94.573684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.573684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.573684 (E_RNA)
where:
Base-Base interactions energy: -39.255
where: short stacking energy: -31.168
Base-Backbone interact. energy: -0.097
local terms energy: -55.221636
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -8.262
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: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -78.259129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.259129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.259129 (E_RNA)
where:
Base-Base interactions energy: -31.174
where: short stacking energy: -21.140
Base-Backbone interact. energy: -0.126
local terms energy: -46.958826
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -3.139
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -88.910272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.910272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.910272 (E_RNA)
where:
Base-Base interactions energy: -35.225
where: short stacking energy: -18.463
Base-Backbone interact. energy: -0.138
local terms energy: -53.547516
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -77.019261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.019261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.019261 (E_RNA)
where:
Base-Base interactions energy: -26.976
where: short stacking energy: -26.133
Base-Backbone interact. energy: -1.109
local terms energy: -48.933589
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -1.553
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: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -84.035176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.035176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.035176 (E_RNA)
where:
Base-Base interactions energy: -37.147
where: short stacking energy: -22.192
Base-Backbone interact. energy: -0.011
local terms energy: -46.877191
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -209.813080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.813080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.813080 (E_RNA)
where:
Base-Base interactions energy: -144.538
where: short stacking energy: -67.972
Base-Backbone interact. energy: -0.002
local terms energy: -65.273227
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -20.355
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: 3
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -209.316632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.316632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.316632 (E_RNA)
where:
Base-Base interactions energy: -139.195
where: short stacking energy: -59.603
Base-Backbone interact. energy: -0.377
local terms energy: -69.744685
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -199.672415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.672415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.672415 (E_RNA)
where:
Base-Base interactions energy: -140.188
where: short stacking energy: -52.800
Base-Backbone interact. energy: 0.576
local terms energy: -60.060532
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -9.860
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: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -197.506919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.506919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.506919 (E_RNA)
where:
Base-Base interactions energy: -127.508
where: short stacking energy: -59.222
Base-Backbone interact. energy: -0.013
local terms energy: -69.986398
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -157.066328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.066328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.066328 (E_RNA)
where:
Base-Base interactions energy: -102.418
where: short stacking energy: -42.926
Base-Backbone interact. energy: 0.303
local terms energy: -54.951186
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -79.216357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.216357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.216357 (E_RNA)
where:
Base-Base interactions energy: -37.042
where: short stacking energy: -31.523
Base-Backbone interact. energy: -0.063
local terms energy: -42.110901
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -11.069
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: 7, replica: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -77.582540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.582540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.582540 (E_RNA)
where:
Base-Base interactions energy: -28.523
where: short stacking energy: -27.582
Base-Backbone interact. energy: -0.118
local terms energy: -48.941470
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -10.738
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: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -84.419670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.419670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.419670 (E_RNA)
where:
Base-Base interactions energy: -30.213
where: short stacking energy: -25.359
Base-Backbone interact. energy: -0.021
local terms energy: -54.185935
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -76.160346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.160346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.160346 (E_RNA)
where:
Base-Base interactions energy: -42.086
where: short stacking energy: -33.931
Base-Backbone interact. energy: 0.149
local terms energy: -34.223668
where:
bonds (distance) C4'-P energy: -7.807
bonds (distance) P-C4' energy: -7.625
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -1.826
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: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -79.022578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.022578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.022578 (E_RNA)
where:
Base-Base interactions energy: -38.386
where: short stacking energy: -29.776
Base-Backbone interact. energy: -0.135
local terms energy: -40.501915
where:
bonds (distance) C4'-P energy: -8.064
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -214.116157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.116157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.116157 (E_RNA)
where:
Base-Base interactions energy: -141.033
where: short stacking energy: -62.646
Base-Backbone interact. energy: -0.136
local terms energy: -72.947091
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -203.238627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.238627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.238627 (E_RNA)
where:
Base-Base interactions energy: -129.622
where: short stacking energy: -66.981
Base-Backbone interact. energy: -0.000
local terms energy: -73.616299
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -18.913
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: 4
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -181.516167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.516167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.516167 (E_RNA)
where:
Base-Base interactions energy: -109.466
where: short stacking energy: -52.740
Base-Backbone interact. energy: 0.161
local terms energy: -72.210674
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -201.235894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.235894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.235894 (E_RNA)
where:
Base-Base interactions energy: -131.177
where: short stacking energy: -58.763
Base-Backbone interact. energy: -0.059
local terms energy: -69.999602
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -186.390856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.390856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.390856 (E_RNA)
where:
Base-Base interactions energy: -128.553
where: short stacking energy: -56.229
Base-Backbone interact. energy: -0.318
local terms energy: -57.520419
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -0.759
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -99.503359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.503359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.503359 (E_RNA)
where:
Base-Base interactions energy: -44.186
where: short stacking energy: -29.823
Base-Backbone interact. energy: -0.152
local terms energy: -55.165495
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -84.655086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.655086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.655086 (E_RNA)
where:
Base-Base interactions energy: -34.751
where: short stacking energy: -33.463
Base-Backbone interact. energy: -0.226
local terms energy: -49.677853
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -80.737624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.737624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.737624 (E_RNA)
where:
Base-Base interactions energy: -28.657
where: short stacking energy: -22.478
Base-Backbone interact. energy: -0.097
local terms energy: -51.984323
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -76.413778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.413778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.413778 (E_RNA)
where:
Base-Base interactions energy: -37.408
where: short stacking energy: -23.702
Base-Backbone interact. energy: -0.166
local terms energy: -38.840483
where:
bonds (distance) C4'-P energy: -6.050
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -6.435
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: 10, replica: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -75.081144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.081144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.081144 (E_RNA)
where:
Base-Base interactions energy: -25.050
where: short stacking energy: -23.657
Base-Backbone interact. energy: -0.134
local terms energy: -49.897401
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -4.690
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: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -209.154501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.154501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.154501 (E_RNA)
where:
Base-Base interactions energy: -141.269
where: short stacking energy: -63.503
Base-Backbone interact. energy: -0.020
local terms energy: -67.865390
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -15.458
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: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -201.046853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.046853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.046853 (E_RNA)
where:
Base-Base interactions energy: -137.456
where: short stacking energy: -64.373
Base-Backbone interact. energy: -0.056
local terms energy: -63.535653
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -199.756733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.756733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.756733 (E_RNA)
where:
Base-Base interactions energy: -131.619
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.001
local terms energy: -68.135777
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -162.629457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.629457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.629457 (E_RNA)
where:
Base-Base interactions energy: -103.045
where: short stacking energy: -53.338
Base-Backbone interact. energy: -0.006
local terms energy: -59.578174
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -2.218
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -93.071321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.071321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.071321 (E_RNA)
where:
Base-Base interactions energy: -39.908
where: short stacking energy: -28.893
Base-Backbone interact. energy: -0.330
local terms energy: -52.834044
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -185.451685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.451685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.451685 (E_RNA)
where:
Base-Base interactions energy: -122.680
where: short stacking energy: -57.951
Base-Backbone interact. energy: -0.314
local terms energy: -62.458210
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -81.168027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.168027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.168027 (E_RNA)
where:
Base-Base interactions energy: -25.657
where: short stacking energy: -20.206
Base-Backbone interact. energy: 1.683
local terms energy: -57.194027
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -12.954
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: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -83.891151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.891151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.891151 (E_RNA)
where:
Base-Base interactions energy: -36.443
where: short stacking energy: -24.674
Base-Backbone interact. energy: -0.334
local terms energy: -47.113545
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -4.535
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: 9, replica: 5
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -93.453352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.453352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.453352 (E_RNA)
where:
Base-Base interactions energy: -34.796
where: short stacking energy: -34.796
Base-Backbone interact. energy: -0.250
local terms energy: -58.407439
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -10.223
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: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -71.376787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.376787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.376787 (E_RNA)
where:
Base-Base interactions energy: -24.771
where: short stacking energy: -21.387
Base-Backbone interact. energy: -0.088
local terms energy: -46.517464
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -7.916
flat angles P-C4'-P energy: -4.657
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: 1, replica: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -209.582413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.582413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.582413 (E_RNA)
where:
Base-Base interactions energy: -133.634
where: short stacking energy: -59.947
Base-Backbone interact. energy: -0.147
local terms energy: -75.801228
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -199.637906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.637906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.637906 (E_RNA)
where:
Base-Base interactions energy: -124.385
where: short stacking energy: -58.254
Base-Backbone interact. energy: -0.085
local terms energy: -75.167634
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -190.406007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.406007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.406007 (E_RNA)
where:
Base-Base interactions energy: -125.591
where: short stacking energy: -63.092
Base-Backbone interact. energy: -0.001
local terms energy: -64.814258
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -164.067038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.067038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.067038 (E_RNA)
where:
Base-Base interactions energy: -104.228
where: short stacking energy: -40.390
Base-Backbone interact. energy: -0.174
local terms energy: -59.665070
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -92.701842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.701842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.701842 (E_RNA)
where:
Base-Base interactions energy: -37.766
where: short stacking energy: -32.083
Base-Backbone interact. energy: -0.107
local terms energy: -54.829448
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -163.594739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.594739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.594739 (E_RNA)
where:
Base-Base interactions energy: -108.000
where: short stacking energy: -45.077
Base-Backbone interact. energy: -0.092
local terms energy: -55.502421
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -10.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -81.901263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.901263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.901263 (E_RNA)
where:
Base-Base interactions energy: -31.420
where: short stacking energy: -23.175
Base-Backbone interact. energy: -0.501
local terms energy: -49.981071
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -8.851
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: 8, replica: 2
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -73.333817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.333817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.333817 (E_RNA)
where:
Base-Base interactions energy: -21.274
where: short stacking energy: -19.045
Base-Backbone interact. energy: -0.154
local terms energy: -51.905017
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -79.822777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.822777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.822777 (E_RNA)
where:
Base-Base interactions energy: -30.652
where: short stacking energy: -30.652
Base-Backbone interact. energy: -0.209
local terms energy: -48.961430
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -7.549
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -75.738477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.738477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.738477 (E_RNA)
where:
Base-Base interactions energy: -26.548
where: short stacking energy: -23.711
Base-Backbone interact. energy: -0.124
local terms energy: -49.066312
where:
bonds (distance) C4'-P energy: -7.277
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -5.494
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: 1, replica: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -195.498860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.498860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.498860 (E_RNA)
where:
Base-Base interactions energy: -127.020
where: short stacking energy: -64.794
Base-Backbone interact. energy: -0.004
local terms energy: -68.474448
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -186.767128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.767128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.767128 (E_RNA)
where:
Base-Base interactions energy: -119.058
where: short stacking energy: -49.977
Base-Backbone interact. energy: -0.103
local terms energy: -67.605626
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -193.445880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.445880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.445880 (E_RNA)
where:
Base-Base interactions energy: -125.743
where: short stacking energy: -52.258
Base-Backbone interact. energy: -0.115
local terms energy: -67.587839
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -13.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -156.712025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.712025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.712025 (E_RNA)
where:
Base-Base interactions energy: -97.332
where: short stacking energy: -40.057
Base-Backbone interact. energy: -0.029
local terms energy: -59.351566
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -7.424
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: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -154.777308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.777308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.777308 (E_RNA)
where:
Base-Base interactions energy: -92.750
where: short stacking energy: -46.629
Base-Backbone interact. energy: -0.109
local terms energy: -61.918925
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -7.246
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: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -92.079759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.079759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.079759 (E_RNA)
where:
Base-Base interactions energy: -39.658
where: short stacking energy: -39.658
Base-Backbone interact. energy: -0.377
local terms energy: -52.045121
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -7.239
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: 7, replica: 2
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -89.887449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.887449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.887449 (E_RNA)
where:
Base-Base interactions energy: -46.796
where: short stacking energy: -23.225
Base-Backbone interact. energy: -0.348
local terms energy: -42.743510
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -8.171
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: 8, replica: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -100.971654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.971654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.971654 (E_RNA)
where:
Base-Base interactions energy: -51.987
where: short stacking energy: -38.319
Base-Backbone interact. energy: -0.149
local terms energy: -48.835851
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -4.131
tors. eta vs tors. theta energy: -10.453
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: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -86.189981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.189981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.189981 (E_RNA)
where:
Base-Base interactions energy: -43.332
where: short stacking energy: -23.466
Base-Backbone interact. energy: -0.188
local terms energy: -42.670312
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -0.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -66.689472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.689472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.689472 (E_RNA)
where:
Base-Base interactions energy: -26.652
where: short stacking energy: -18.648
Base-Backbone interact. energy: -0.091
local terms energy: -39.946909
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -5.584
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -205.055948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.055948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.055948 (E_RNA)
where:
Base-Base interactions energy: -132.791
where: short stacking energy: -57.920
Base-Backbone interact. energy: 0.739
local terms energy: -73.003591
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -208.952773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.952773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.952773 (E_RNA)
where:
Base-Base interactions energy: -140.081
where: short stacking energy: -60.713
Base-Backbone interact. energy: -0.276
local terms energy: -68.596158
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -188.251517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.251517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.251517 (E_RNA)
where:
Base-Base interactions energy: -119.260
where: short stacking energy: -56.005
Base-Backbone interact. energy: -1.479
local terms energy: -67.512869
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -148.303625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.303625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.303625 (E_RNA)
where:
Base-Base interactions energy: -93.857
where: short stacking energy: -44.660
Base-Backbone interact. energy: -0.605
local terms energy: -53.842008
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -156.288049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.288049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.288049 (E_RNA)
where:
Base-Base interactions energy: -104.825
where: short stacking energy: -48.128
Base-Backbone interact. energy: -0.314
local terms energy: -51.149770
where:
bonds (distance) C4'-P energy: -6.697
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -12.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -98.728284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.728284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.728284 (E_RNA)
where:
Base-Base interactions energy: -44.762
where: short stacking energy: -44.762
Base-Backbone interact. energy: -0.332
local terms energy: -53.634503
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -8.327
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -9.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -78.121431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.121431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.121431 (E_RNA)
where:
Base-Base interactions energy: -28.322
where: short stacking energy: -28.322
Base-Backbone interact. energy: -0.090
local terms energy: -49.709719
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -86.769906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.769906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.769906 (E_RNA)
where:
Base-Base interactions energy: -33.137
where: short stacking energy: -27.374
Base-Backbone interact. energy: -0.401
local terms energy: -53.231994
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -10.738
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: 9, replica: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -72.940236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.940236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.940236 (E_RNA)
where:
Base-Base interactions energy: -31.298
where: short stacking energy: -31.298
Base-Backbone interact. energy: -0.234
local terms energy: -41.408072
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: 2.500
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: 5
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -73.377280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.377280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.377280 (E_RNA)
where:
Base-Base interactions energy: -22.161
where: short stacking energy: -21.881
Base-Backbone interact. energy: 0.196
local terms energy: -51.412138
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -6.671
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: 1, replica: 10
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -213.229113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.229113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.229113 (E_RNA)
where:
Base-Base interactions energy: -137.894
where: short stacking energy: -59.575
Base-Backbone interact. energy: -0.215
local terms energy: -75.119854
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -213.323383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.323383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.323383 (E_RNA)
where:
Base-Base interactions energy: -140.778
where: short stacking energy: -59.071
Base-Backbone interact. energy: -0.117
local terms energy: -72.427871
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -195.107502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.107502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.107502 (E_RNA)
where:
Base-Base interactions energy: -128.016
where: short stacking energy: -62.309
Base-Backbone interact. energy: -0.224
local terms energy: -66.867586
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -15.717
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: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -161.694742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.694742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.694742 (E_RNA)
where:
Base-Base interactions energy: -107.592
where: short stacking energy: -34.844
Base-Backbone interact. energy: -0.485
local terms energy: -53.617403
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -184.855581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.855581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.855581 (E_RNA)
where:
Base-Base interactions energy: -122.712
where: short stacking energy: -61.631
Base-Backbone interact. energy: -0.004
local terms energy: -62.139677
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -100.267637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.267637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.267637 (E_RNA)
where:
Base-Base interactions energy: -43.567
where: short stacking energy: -32.032
Base-Backbone interact. energy: 1.869
local terms energy: -58.570086
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -6.210
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: 7, replica: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -85.936268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936268 (E_RNA)
where:
Base-Base interactions energy: -36.149
where: short stacking energy: -32.761
Base-Backbone interact. energy: -0.129
local terms energy: -49.658368
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -7.157
flat angles P-C4'-P energy: -8.961
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: 8, replica: 2
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -86.736950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.736950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.736950 (E_RNA)
where:
Base-Base interactions energy: -31.735
where: short stacking energy: -27.026
Base-Backbone interact. energy: -0.919
local terms energy: -54.082496
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -11.745
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: 9, replica: 5
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -78.312013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.312013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.312013 (E_RNA)
where:
Base-Base interactions energy: -33.026
where: short stacking energy: -29.688
Base-Backbone interact. energy: -0.273
local terms energy: -45.012352
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -3.754
flat angles P-C4'-P energy: -11.639
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: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -89.635289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.635289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.635289 (E_RNA)
where:
Base-Base interactions energy: -41.738
where: short stacking energy: -26.603
Base-Backbone interact. energy: -0.052
local terms energy: -47.845130
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -9.120
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: 1, replica: 10
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -208.189731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.189731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.189731 (E_RNA)
where:
Base-Base interactions energy: -137.236
where: short stacking energy: -63.932
Base-Backbone interact. energy: 0.901
local terms energy: -71.855180
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -202.271678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.271678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.271678 (E_RNA)
where:
Base-Base interactions energy: -132.041
where: short stacking energy: -62.766
Base-Backbone interact. energy: -0.122
local terms energy: -70.108016
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -193.097908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.097908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.097908 (E_RNA)
where:
Base-Base interactions energy: -123.102
where: short stacking energy: -57.866
Base-Backbone interact. energy: -0.098
local terms energy: -69.897024
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -188.196245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.196245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.196245 (E_RNA)
where:
Base-Base interactions energy: -120.959
where: short stacking energy: -52.820
Base-Backbone interact. energy: -0.006
local terms energy: -67.231275
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -7.224
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -142.760708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.760708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.760708 (E_RNA)
where:
Base-Base interactions energy: -85.840
where: short stacking energy: -38.259
Base-Backbone interact. energy: -0.050
local terms energy: -56.870611
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -8.145
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: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -87.693055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.693055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.693055 (E_RNA)
where:
Base-Base interactions energy: -33.676
where: short stacking energy: -33.676
Base-Backbone interact. energy: -0.019
local terms energy: -53.997740
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -10.065
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: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -88.306955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.306955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.306955 (E_RNA)
where:
Base-Base interactions energy: -37.500
where: short stacking energy: -26.367
Base-Backbone interact. energy: -0.034
local terms energy: -50.772825
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -8.377
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: 8, replica: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -80.086611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.086611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.086611 (E_RNA)
where:
Base-Base interactions energy: -28.862
where: short stacking energy: -28.862
Base-Backbone interact. energy: -0.005
local terms energy: -51.218907
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -9.814
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: 9, replica: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -87.594388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.594388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.594388 (E_RNA)
where:
Base-Base interactions energy: -42.158
where: short stacking energy: -20.113
Base-Backbone interact. energy: -0.139
local terms energy: -45.297103
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -10.537
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: 10, replica: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -74.715495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.715495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.715495 (E_RNA)
where:
Base-Base interactions energy: -30.676
where: short stacking energy: -21.800
Base-Backbone interact. energy: -0.315
local terms energy: -43.725108
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -9.346
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -3.424
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)
replica 10 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 17152582
moves confirmed later: 20671200
all moves confirmed: 37823782
percent of confirmed moves: 4.727973
current total energy: -193.996523
recalc. total energy: -193.996523
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 13197757
moves confirmed later: 15391772
all moves confirmed: 28589529
percent of confirmed moves: 3.573691
current total energy: -178.004473
recalc. total energy: -178.004473
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 19190148
moves confirmed later: 23358250
all moves confirmed: 42548398
percent of confirmed moves: 5.318550
current total energy: -166.687168
recalc. total energy: -166.687168
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 16538917
moves confirmed later: 19737856
all moves confirmed: 36276773
percent of confirmed moves: 4.534597
current total energy: -180.794598
recalc. total energy: -180.794598
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 20919097
moves confirmed later: 25565281
all moves confirmed: 46484378
percent of confirmed moves: 5.810547
current total energy: -129.779531
recalc. total energy: -129.779531
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 17515648
moves confirmed later: 21079705
all moves confirmed: 38595353
percent of confirmed moves: 4.824419
current total energy: -59.242677
recalc. total energy: -59.242677
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 18253104
moves confirmed later: 22014399
all moves confirmed: 40267503
percent of confirmed moves: 5.033438
current total energy: -47.236684
recalc. total energy: -47.236684
replica 9 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 20414982
moves confirmed later: 24951450
all moves confirmed: 45366432
percent of confirmed moves: 5.670804
current total energy: -19.879573
recalc. total energy: -19.879573
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 24017764
moves confirmed later: 29592037
all moves confirmed: 53609801
percent of confirmed moves: 6.701225
current total energy: -28.450505
recalc. total energy: -28.450505
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 19865073
moves confirmed later: 24211015
all moves confirmed: 44076088
percent of confirmed moves: 5.509511
current total energy: -20.241415
recalc. total energy: -20.241415
out arg RESULTS//1/IONIS-cfb37b69_01
Time of doing 8000000 iterations: 1542.581 seconds